data_10038 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of zf-C2H2 domains from human Zinc finger protein 295 ; _BMRB_accession_number 10038 _BMRB_flat_file_name bmr10038.str _Entry_type original _Submission_date 2006-11-02 _Accession_date 2006-11-02 _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 Saito K. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 609 "13C chemical shifts" 447 "15N chemical shifts" 106 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-12 original author . stop_ _Original_release_date 2008-08-12 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of zf-C2H2 domains from human Zinc finger protein 295' _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 Saito K. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Zinc finger protein 295' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Zinc finger protein 295' $entity_1 'ZINC (II) ION, 1' $ZN 'ZINC (II) ION, 2' $ZN 'ZINC (II) ION, 3' $ZN stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all other bound' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component diamagnetic 'ZINC (II) ION, 1' diamagnetic 'ZINC (II) ION, 2' diamagnetic 'ZINC (II) ION, 3' stop_ _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 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; GSSGSSGASPVENKEVYQCR LCNAKLSSLLEQGSHERLCR NAAVCPYCSLRFFSPELKQE HESKCEYKKLTCLECMRTFK SSFSIWRHQVEVHNQNNMAP TSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ALA 9 SER 10 PRO 11 VAL 12 GLU 13 ASN 14 LYS 15 GLU 16 VAL 17 TYR 18 GLN 19 CYS 20 ARG 21 LEU 22 CYS 23 ASN 24 ALA 25 LYS 26 LEU 27 SER 28 SER 29 LEU 30 LEU 31 GLU 32 GLN 33 GLY 34 SER 35 HIS 36 GLU 37 ARG 38 LEU 39 CYS 40 ARG 41 ASN 42 ALA 43 ALA 44 VAL 45 CYS 46 PRO 47 TYR 48 CYS 49 SER 50 LEU 51 ARG 52 PHE 53 PHE 54 SER 55 PRO 56 GLU 57 LEU 58 LYS 59 GLN 60 GLU 61 HIS 62 GLU 63 SER 64 LYS 65 CYS 66 GLU 67 TYR 68 LYS 69 LYS 70 LEU 71 THR 72 CYS 73 LEU 74 GLU 75 CYS 76 MET 77 ARG 78 THR 79 PHE 80 LYS 81 SER 82 SER 83 PHE 84 SER 85 ILE 86 TRP 87 ARG 88 HIS 89 GLN 90 VAL 91 GLU 92 VAL 93 HIS 94 ASN 95 GLN 96 ASN 97 ASN 98 MET 99 ALA 100 PRO 101 THR 102 SER 103 GLY 104 PRO 105 SER 106 SER 107 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 1WJP "Solution Structure Of Zf-C2h2 Domains From Human Zinc Finger Protein 295" 100.00 107 100.00 100.00 3.21e-71 DBJ BAA86541 "KIAA1227 protein [Homo sapiens]" 87.85 1069 100.00 100.00 9.91e-58 DBJ BAA95529 "ZNF295 [Homo sapiens]" 87.85 1066 100.00 100.00 1.20e-57 DBJ BAD74063 "zinc finger protein long form [Homo sapiens]" 87.85 1066 100.00 100.00 1.20e-57 DBJ BAD74064 "zinc finger protein short form [Homo sapiens]" 67.29 865 98.61 98.61 1.86e-42 DBJ BAE02111 "unnamed protein product [Macaca fascicularis]" 87.85 500 100.00 100.00 2.25e-58 GB AAH63290 "Zinc finger protein 295 [Homo sapiens]" 87.85 1066 100.00 100.00 1.20e-57 GB AIC56336 "ZNF295, partial [synthetic construct]" 87.85 1066 100.00 100.00 1.20e-57 GB EAX09579 "zinc finger protein 295, isoform CRA_a [Homo sapiens]" 87.85 1066 100.00 100.00 1.20e-57 GB EAX09580 "zinc finger protein 295, isoform CRA_a [Homo sapiens]" 87.85 1066 100.00 100.00 1.20e-57 GB EAX09581 "zinc finger protein 295, isoform CRA_a [Homo sapiens]" 87.85 1066 100.00 100.00 1.20e-57 REF NP_001091872 "zinc finger and BTB domain-containing protein 21 isoform L [Homo sapiens]" 87.85 1066 100.00 100.00 1.20e-57 REF NP_001091873 "zinc finger and BTB domain-containing protein 21 isoform S [Homo sapiens]" 67.29 865 98.61 98.61 1.86e-42 REF NP_065778 "zinc finger and BTB domain-containing protein 21 isoform L [Homo sapiens]" 87.85 1066 100.00 100.00 1.20e-57 REF XP_001106387 "PREDICTED: zinc finger protein 295-like isoform 1 [Macaca mulatta]" 67.29 865 98.61 98.61 1.98e-42 REF XP_001106513 "PREDICTED: zinc finger protein 295-like isoform 3 [Macaca mulatta]" 87.85 1066 100.00 100.00 1.23e-57 SP Q9ULJ3 "RecName: Full=Zinc finger and BTB domain-containing protein 21; AltName: Full=Zinc finger protein 295" 87.85 1066 100.00 100.00 1.20e-57 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 Wed Sep 21 15:14:20 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P040126-28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.03 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . ZnCl2 0.01 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _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_software_4 _Saveframe_category software _Name Kujira _Version 0.901 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _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_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name 3D_15N-separated_NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_13C-separated_NOESY 3D_15N-separated_NOESY stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Zinc finger protein 295' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER HA H 4.510 0.030 1 2 6 6 SER HB2 H 3.911 0.030 2 3 6 6 SER HB3 H 3.951 0.030 2 4 6 6 SER C C 175.043 0.300 1 5 6 6 SER CA C 58.699 0.300 1 6 6 6 SER CB C 63.777 0.300 1 7 7 7 GLY H H 8.402 0.030 1 8 7 7 GLY HA2 H 3.986 0.030 1 9 7 7 GLY HA3 H 3.986 0.030 1 10 7 7 GLY C C 173.691 0.300 1 11 7 7 GLY CA C 45.250 0.300 1 12 7 7 GLY N N 110.901 0.300 1 13 8 8 ALA H H 8.137 0.030 1 14 8 8 ALA HA H 4.387 0.030 1 15 8 8 ALA HB H 1.397 0.030 1 16 8 8 ALA C C 177.653 0.300 1 17 8 8 ALA CA C 52.225 0.300 1 18 8 8 ALA CB C 19.532 0.300 1 19 8 8 ALA N N 123.679 0.300 1 20 9 9 SER H H 8.362 0.030 1 21 9 9 SER HA H 4.774 0.030 1 22 9 9 SER HB2 H 3.896 0.030 2 23 9 9 SER HB3 H 3.842 0.030 2 24 9 9 SER C C 177.653 0.300 1 25 9 9 SER CA C 56.480 0.300 1 26 9 9 SER CB C 63.336 0.300 1 27 9 9 SER N N 117.081 0.300 1 28 10 10 PRO HA H 4.487 0.030 1 29 10 10 PRO HB2 H 2.308 0.030 2 30 10 10 PRO HB3 H 1.931 0.030 2 31 10 10 PRO HG2 H 2.033 0.030 1 32 10 10 PRO HG3 H 2.033 0.030 1 33 10 10 PRO HD2 H 3.746 0.030 2 34 10 10 PRO HD3 H 3.841 0.030 2 35 10 10 PRO C C 176.936 0.300 1 36 10 10 PRO CA C 63.364 0.300 1 37 10 10 PRO CB C 32.152 0.300 1 38 10 10 PRO CG C 27.351 0.300 1 39 10 10 PRO CD C 50.833 0.300 1 40 11 11 VAL H H 8.170 0.030 1 41 11 11 VAL HA H 4.092 0.030 1 42 11 11 VAL HB H 2.068 0.030 1 43 11 11 VAL HG1 H 0.944 0.030 1 44 11 11 VAL HG2 H 0.959 0.030 1 45 11 11 VAL C C 176.182 0.300 1 46 11 11 VAL CA C 62.399 0.300 1 47 11 11 VAL CB C 32.785 0.300 1 48 11 11 VAL CG1 C 21.249 0.300 2 49 11 11 VAL CG2 C 20.610 0.300 2 50 11 11 VAL N N 120.105 0.300 1 51 12 12 GLU H H 8.438 0.030 1 52 12 12 GLU HA H 4.302 0.030 1 53 12 12 GLU HB2 H 1.935 0.030 2 54 12 12 GLU HB3 H 2.022 0.030 2 55 12 12 GLU HG2 H 2.260 0.030 2 56 12 12 GLU HG3 H 2.223 0.030 2 57 12 12 GLU C C 175.937 0.300 1 58 12 12 GLU CA C 56.427 0.300 1 59 12 12 GLU CB C 30.578 0.300 1 60 12 12 GLU CG C 36.291 0.300 1 61 12 12 GLU N N 124.666 0.300 1 62 13 13 ASN H H 8.513 0.030 1 63 13 13 ASN HA H 4.721 0.030 1 64 13 13 ASN HB2 H 2.833 0.030 2 65 13 13 ASN HB3 H 2.745 0.030 2 66 13 13 ASN HD21 H 7.441 0.030 2 67 13 13 ASN HD22 H 8.397 0.030 2 68 13 13 ASN C C 174.925 0.300 1 69 13 13 ASN CA C 53.222 0.300 1 70 13 13 ASN CB C 38.930 0.300 1 71 13 13 ASN N N 120.888 0.300 1 72 13 13 ASN ND2 N 118.053 0.300 1 73 14 14 LYS H H 8.315 0.030 1 74 14 14 LYS HA H 4.330 0.030 1 75 14 14 LYS HB2 H 1.843 0.030 2 76 14 14 LYS HB3 H 1.706 0.030 2 77 14 14 LYS HG2 H 1.419 0.030 1 78 14 14 LYS HG3 H 1.419 0.030 1 79 14 14 LYS HD2 H 1.677 0.030 1 80 14 14 LYS HD3 H 1.677 0.030 1 81 14 14 LYS HE2 H 2.990 0.030 1 82 14 14 LYS HE3 H 2.990 0.030 1 83 14 14 LYS C C 176.262 0.300 1 84 14 14 LYS CA C 56.188 0.300 1 85 14 14 LYS CB C 33.118 0.300 1 86 14 14 LYS CG C 24.686 0.300 1 87 14 14 LYS CD C 29.013 0.300 1 88 14 14 LYS CE C 42.112 0.300 1 89 14 14 LYS N N 122.221 0.300 1 90 15 15 GLU H H 8.344 0.030 1 91 15 15 GLU HA H 4.184 0.030 1 92 15 15 GLU HB2 H 1.870 0.030 1 93 15 15 GLU HB3 H 1.870 0.030 1 94 15 15 GLU HG2 H 2.161 0.030 2 95 15 15 GLU HG3 H 2.213 0.030 2 96 15 15 GLU C C 175.283 0.300 1 97 15 15 GLU CA C 56.456 0.300 1 98 15 15 GLU CB C 30.241 0.300 1 99 15 15 GLU CG C 36.333 0.300 1 100 15 15 GLU N N 122.109 0.300 1 101 16 16 VAL H H 7.772 0.030 1 102 16 16 VAL HA H 4.072 0.030 1 103 16 16 VAL HB H 1.839 0.030 1 104 16 16 VAL HG1 H 0.762 0.030 1 105 16 16 VAL HG2 H 0.774 0.030 1 106 16 16 VAL C C 174.564 0.300 1 107 16 16 VAL CA C 61.331 0.300 1 108 16 16 VAL CB C 33.804 0.300 1 109 16 16 VAL CG1 C 21.185 0.300 2 110 16 16 VAL CG2 C 20.381 0.300 2 111 16 16 VAL N N 119.744 0.300 1 112 17 17 TYR H H 8.392 0.030 1 113 17 17 TYR HA H 4.585 0.030 1 114 17 17 TYR HB2 H 2.799 0.030 2 115 17 17 TYR HB3 H 2.520 0.030 2 116 17 17 TYR HD1 H 6.876 0.030 1 117 17 17 TYR HD2 H 6.876 0.030 1 118 17 17 TYR HE1 H 6.722 0.030 1 119 17 17 TYR HE2 H 6.722 0.030 1 120 17 17 TYR C C 174.357 0.300 1 121 17 17 TYR CA C 56.815 0.300 1 122 17 17 TYR CB C 38.983 0.300 1 123 17 17 TYR CD1 C 132.822 0.300 1 124 17 17 TYR CD2 C 132.822 0.300 1 125 17 17 TYR CE1 C 118.237 0.300 1 126 17 17 TYR CE2 C 118.237 0.300 1 127 17 17 TYR N N 125.307 0.300 1 128 18 18 GLN H H 8.266 0.030 1 129 18 18 GLN HA H 5.149 0.030 1 130 18 18 GLN HB2 H 1.794 0.030 2 131 18 18 GLN HB3 H 1.721 0.030 2 132 18 18 GLN HG2 H 2.009 0.030 2 133 18 18 GLN HG3 H 2.108 0.030 2 134 18 18 GLN HE21 H 7.406 0.030 2 135 18 18 GLN HE22 H 6.770 0.030 2 136 18 18 GLN C C 175.189 0.300 1 137 18 18 GLN CA C 54.011 0.300 1 138 18 18 GLN CB C 31.932 0.300 1 139 18 18 GLN CG C 34.239 0.300 1 140 18 18 GLN N N 121.874 0.300 1 141 18 18 GLN NE2 N 111.318 0.300 1 142 19 19 CYS H H 8.809 0.030 1 143 19 19 CYS HA H 4.559 0.030 1 144 19 19 CYS HB2 H 3.140 0.030 2 145 19 19 CYS HB3 H 2.474 0.030 2 146 19 19 CYS C C 178.229 0.300 1 147 19 19 CYS CA C 59.379 0.300 1 148 19 19 CYS CB C 31.408 0.300 1 149 19 19 CYS N N 126.423 0.300 1 150 20 20 ARG H H 9.533 0.030 1 151 20 20 ARG HA H 4.205 0.030 1 152 20 20 ARG HB2 H 1.874 0.030 2 153 20 20 ARG HB3 H 1.991 0.030 2 154 20 20 ARG HG2 H 1.780 0.030 2 155 20 20 ARG HG3 H 1.848 0.030 2 156 20 20 ARG HD2 H 3.328 0.030 2 157 20 20 ARG HD3 H 3.235 0.030 2 158 20 20 ARG C C 176.182 0.300 1 159 20 20 ARG CA C 58.482 0.300 1 160 20 20 ARG CB C 29.888 0.300 1 161 20 20 ARG CG C 28.088 0.300 1 162 20 20 ARG CD C 43.005 0.300 1 163 20 20 ARG N N 131.210 0.300 1 164 21 21 LEU H H 9.810 0.030 1 165 21 21 LEU HA H 4.492 0.030 1 166 21 21 LEU HB2 H 2.222 0.030 2 167 21 21 LEU HB3 H 1.456 0.030 2 168 21 21 LEU HG H 1.623 0.030 1 169 21 21 LEU HD1 H 0.936 0.030 1 170 21 21 LEU HD2 H 0.856 0.030 1 171 21 21 LEU C C 178.005 0.300 1 172 21 21 LEU CA C 57.013 0.300 1 173 21 21 LEU CB C 42.867 0.300 1 174 21 21 LEU CG C 27.790 0.300 1 175 21 21 LEU CD1 C 25.397 0.300 2 176 21 21 LEU CD2 C 23.874 0.300 2 177 21 21 LEU N N 123.604 0.300 1 178 22 22 CYS H H 8.912 0.030 1 179 22 22 CYS HA H 4.984 0.030 1 180 22 22 CYS HB2 H 3.313 0.030 2 181 22 22 CYS HB3 H 2.429 0.030 2 182 22 22 CYS C C 176.193 0.300 1 183 22 22 CYS CA C 58.710 0.300 1 184 22 22 CYS CB C 32.788 0.300 1 185 22 22 CYS N N 119.468 0.300 1 186 23 23 ASN H H 7.863 0.030 1 187 23 23 ASN HA H 4.594 0.030 1 188 23 23 ASN HB2 H 3.018 0.030 1 189 23 23 ASN HB3 H 3.018 0.030 1 190 23 23 ASN HD21 H 6.764 0.030 2 191 23 23 ASN HD22 H 7.420 0.030 2 192 23 23 ASN C C 174.205 0.300 1 193 23 23 ASN CA C 55.556 0.300 1 194 23 23 ASN CB C 38.050 0.300 1 195 23 23 ASN N N 117.349 0.300 1 196 23 23 ASN ND2 N 112.155 0.300 1 197 24 24 ALA H H 8.812 0.030 1 198 24 24 ALA HA H 4.123 0.030 1 199 24 24 ALA HB H 1.105 0.030 1 200 24 24 ALA C C 176.523 0.300 1 201 24 24 ALA CA C 53.698 0.300 1 202 24 24 ALA CB C 19.392 0.300 1 203 24 24 ALA N N 125.494 0.300 1 204 25 25 LYS H H 8.416 0.030 1 205 25 25 LYS HA H 4.457 0.030 1 206 25 25 LYS HB2 H 1.760 0.030 2 207 25 25 LYS HB3 H 1.715 0.030 2 208 25 25 LYS HG2 H 1.280 0.030 2 209 25 25 LYS HG3 H 1.547 0.030 2 210 25 25 LYS HD2 H 1.657 0.030 1 211 25 25 LYS HD3 H 1.657 0.030 1 212 25 25 LYS HE2 H 2.978 0.030 1 213 25 25 LYS HE3 H 2.978 0.030 1 214 25 25 LYS C C 175.871 0.300 1 215 25 25 LYS CA C 56.318 0.300 1 216 25 25 LYS CB C 32.775 0.300 1 217 25 25 LYS CG C 25.423 0.300 1 218 25 25 LYS CD C 29.185 0.300 1 219 25 25 LYS CE C 42.207 0.300 1 220 25 25 LYS N N 120.330 0.300 1 221 26 26 LEU H H 8.620 0.030 1 222 26 26 LEU HA H 4.819 0.030 1 223 26 26 LEU HB2 H 1.620 0.030 2 224 26 26 LEU HB3 H 1.759 0.030 2 225 26 26 LEU HG H 1.582 0.030 1 226 26 26 LEU HD1 H 0.659 0.030 1 227 26 26 LEU HD2 H 0.580 0.030 1 228 26 26 LEU C C 177.476 0.300 1 229 26 26 LEU CA C 52.805 0.300 1 230 26 26 LEU CB C 42.282 0.300 1 231 26 26 LEU CG C 27.488 0.300 1 232 26 26 LEU CD1 C 23.177 0.300 2 233 26 26 LEU CD2 C 24.213 0.300 2 234 26 26 LEU N N 126.098 0.300 1 235 27 27 SER H H 8.800 0.030 1 236 27 27 SER HA H 4.654 0.030 1 237 27 27 SER HB2 H 3.988 0.030 2 238 27 27 SER HB3 H 4.034 0.030 2 239 27 27 SER C C 174.005 0.300 1 240 27 27 SER CA C 60.055 0.300 1 241 27 27 SER CB C 64.837 0.300 1 242 27 27 SER N N 113.140 0.300 1 243 28 28 SER H H 7.344 0.030 1 244 28 28 SER HA H 4.206 0.030 1 245 28 28 SER HB2 H 3.936 0.030 2 246 28 28 SER HB3 H 4.022 0.030 2 247 28 28 SER C C 173.073 0.300 1 248 28 28 SER CA C 56.924 0.300 1 249 28 28 SER CB C 66.092 0.300 1 250 28 28 SER N N 112.489 0.300 1 251 29 29 LEU H H 8.304 0.030 1 252 29 29 LEU HA H 3.702 0.030 1 253 29 29 LEU HB2 H 1.440 0.030 2 254 29 29 LEU HB3 H 1.535 0.030 2 255 29 29 LEU HG H 1.447 0.030 1 256 29 29 LEU HD1 H 0.979 0.030 1 257 29 29 LEU HD2 H 0.900 0.030 1 258 29 29 LEU C C 179.933 0.300 1 259 29 29 LEU CA C 57.445 0.300 1 260 29 29 LEU CB C 41.828 0.300 1 261 29 29 LEU CG C 26.918 0.300 1 262 29 29 LEU CD1 C 23.968 0.300 2 263 29 29 LEU CD2 C 25.010 0.300 2 264 29 29 LEU N N 122.938 0.300 1 265 30 30 LEU H H 8.061 0.030 1 266 30 30 LEU HA H 4.086 0.030 1 267 30 30 LEU HB2 H 1.545 0.030 2 268 30 30 LEU HB3 H 1.641 0.030 2 269 30 30 LEU HG H 1.640 0.030 1 270 30 30 LEU HD1 H 0.870 0.030 1 271 30 30 LEU HD2 H 0.919 0.030 1 272 30 30 LEU C C 179.882 0.300 1 273 30 30 LEU CA C 57.957 0.300 1 274 30 30 LEU CB C 41.820 0.300 1 275 30 30 LEU CG C 27.068 0.300 1 276 30 30 LEU CD1 C 23.972 0.300 2 277 30 30 LEU CD2 C 24.594 0.300 2 278 30 30 LEU N N 120.964 0.300 1 279 31 31 GLU H H 7.946 0.030 1 280 31 31 GLU HA H 4.104 0.030 1 281 31 31 GLU HB2 H 2.063 0.030 2 282 31 31 GLU HB3 H 1.991 0.030 2 283 31 31 GLU HG2 H 2.379 0.030 2 284 31 31 GLU HG3 H 2.293 0.030 2 285 31 31 GLU C C 178.638 0.300 1 286 31 31 GLU CA C 58.711 0.300 1 287 31 31 GLU CB C 30.261 0.300 1 288 31 31 GLU CG C 37.180 0.300 1 289 31 31 GLU N N 120.063 0.300 1 290 32 32 GLN H H 8.316 0.030 1 291 32 32 GLN HA H 3.886 0.030 1 292 32 32 GLN HB2 H 1.938 0.030 2 293 32 32 GLN HB3 H 2.432 0.030 2 294 32 32 GLN HG2 H 2.193 0.030 2 295 32 32 GLN HG3 H 2.090 0.030 2 296 32 32 GLN HE21 H 6.574 0.030 2 297 32 32 GLN HE22 H 7.539 0.030 2 298 32 32 GLN C C 177.803 0.300 1 299 32 32 GLN CA C 60.227 0.300 1 300 32 32 GLN CB C 28.412 0.300 1 301 32 32 GLN CG C 33.176 0.300 1 302 32 32 GLN N N 120.722 0.300 1 303 32 32 GLN NE2 N 109.983 0.300 1 304 33 33 GLY H H 8.273 0.030 1 305 33 33 GLY HA2 H 3.990 0.030 1 306 33 33 GLY HA3 H 3.990 0.030 1 307 33 33 GLY C C 176.720 0.300 1 308 33 33 GLY CA C 47.463 0.300 1 309 33 33 GLY N N 106.176 0.300 1 310 34 34 SER H H 8.065 0.030 1 311 34 34 SER HA H 4.241 0.030 1 312 34 34 SER HB2 H 3.949 0.030 1 313 34 34 SER HB3 H 3.949 0.030 1 314 34 34 SER C C 176.795 0.300 1 315 34 34 SER CA C 61.168 0.300 1 316 34 34 SER CB C 62.748 0.300 1 317 34 34 SER N N 117.391 0.300 1 318 35 35 HIS H H 8.757 0.030 1 319 35 35 HIS HA H 4.206 0.030 1 320 35 35 HIS HB2 H 3.388 0.030 2 321 35 35 HIS HB3 H 3.291 0.030 2 322 35 35 HIS HD2 H 7.309 0.030 1 323 35 35 HIS HE1 H 7.839 0.030 1 324 35 35 HIS C C 178.051 0.300 1 325 35 35 HIS CA C 60.187 0.300 1 326 35 35 HIS CB C 28.288 0.300 1 327 35 35 HIS CD2 C 128.787 0.300 1 328 35 35 HIS CE1 C 139.064 0.300 1 329 35 35 HIS N N 120.702 0.300 1 330 36 36 GLU H H 9.018 0.030 1 331 36 36 GLU HA H 3.961 0.030 1 332 36 36 GLU HB2 H 2.304 0.030 2 333 36 36 GLU HB3 H 2.052 0.030 2 334 36 36 GLU HG2 H 2.927 0.030 2 335 36 36 GLU HG3 H 3.201 0.030 2 336 36 36 GLU C C 178.322 0.300 1 337 36 36 GLU CA C 60.699 0.300 1 338 36 36 GLU CB C 29.948 0.300 1 339 36 36 GLU CG C 38.628 0.300 1 340 36 36 GLU N N 118.633 0.300 1 341 37 37 ARG H H 7.363 0.030 1 342 37 37 ARG HA H 4.026 0.030 1 343 37 37 ARG HB2 H 1.890 0.030 2 344 37 37 ARG HB3 H 1.921 0.030 2 345 37 37 ARG HG2 H 1.625 0.030 2 346 37 37 ARG HG3 H 1.809 0.030 2 347 37 37 ARG HD2 H 3.230 0.030 1 348 37 37 ARG HD3 H 3.230 0.030 1 349 37 37 ARG C C 177.531 0.300 1 350 37 37 ARG CA C 59.142 0.300 1 351 37 37 ARG CB C 30.305 0.300 1 352 37 37 ARG CG C 27.834 0.300 1 353 37 37 ARG CD C 43.455 0.300 1 354 37 37 ARG N N 116.132 0.300 1 355 38 38 LEU H H 6.929 0.030 1 356 38 38 LEU HA H 4.278 0.030 1 357 38 38 LEU HB2 H 1.595 0.030 2 358 38 38 LEU HB3 H 1.412 0.030 2 359 38 38 LEU HG H 1.631 0.030 1 360 38 38 LEU HD1 H 0.847 0.030 1 361 38 38 LEU HD2 H 0.810 0.030 1 362 38 38 LEU C C 177.729 0.300 1 363 38 38 LEU CA C 55.497 0.300 1 364 38 38 LEU CB C 42.845 0.300 1 365 38 38 LEU CG C 26.856 0.300 1 366 38 38 LEU CD1 C 25.226 0.300 2 367 38 38 LEU CD2 C 22.982 0.300 2 368 38 38 LEU N N 117.158 0.300 1 369 39 39 CYS H H 8.100 0.030 1 370 39 39 CYS HA H 3.731 0.030 1 371 39 39 CYS HB2 H 2.713 0.030 2 372 39 39 CYS HB3 H 2.388 0.030 2 373 39 39 CYS C C 177.405 0.300 1 374 39 39 CYS CA C 62.973 0.300 1 375 39 39 CYS CB C 29.163 0.300 1 376 39 39 CYS N N 124.446 0.300 1 377 40 40 ARG H H 8.290 0.030 1 378 40 40 ARG HA H 4.143 0.030 1 379 40 40 ARG HB2 H 1.852 0.030 2 380 40 40 ARG HB3 H 1.871 0.030 2 381 40 40 ARG HG2 H 1.684 0.030 1 382 40 40 ARG HG3 H 1.684 0.030 1 383 40 40 ARG HD2 H 3.228 0.030 2 384 40 40 ARG HD3 H 3.182 0.030 2 385 40 40 ARG C C 176.612 0.300 1 386 40 40 ARG CA C 57.627 0.300 1 387 40 40 ARG CB C 30.313 0.300 1 388 40 40 ARG CG C 27.191 0.300 1 389 40 40 ARG CD C 43.390 0.300 1 390 40 40 ARG N N 121.097 0.300 1 391 41 41 ASN H H 7.834 0.030 1 392 41 41 ASN HA H 4.827 0.030 1 393 41 41 ASN HB2 H 2.967 0.030 2 394 41 41 ASN HB3 H 2.644 0.030 2 395 41 41 ASN HD21 H 7.590 0.030 2 396 41 41 ASN HD22 H 6.926 0.030 2 397 41 41 ASN C C 174.729 0.300 1 398 41 41 ASN CA C 53.089 0.300 1 399 41 41 ASN CB C 39.459 0.300 1 400 41 41 ASN N N 117.869 0.300 1 401 41 41 ASN ND2 N 112.510 0.300 1 402 42 42 ALA H H 7.692 0.030 1 403 42 42 ALA HA H 4.228 0.030 1 404 42 42 ALA HB H 1.397 0.030 1 405 42 42 ALA C C 176.874 0.300 1 406 42 42 ALA CA C 53.273 0.300 1 407 42 42 ALA CB C 19.555 0.300 1 408 42 42 ALA N N 122.900 0.300 1 409 43 43 ALA H H 8.373 0.030 1 410 43 43 ALA HA H 4.516 0.030 1 411 43 43 ALA HB H 1.307 0.030 1 412 43 43 ALA C C 175.698 0.300 1 413 43 43 ALA CA C 51.331 0.300 1 414 43 43 ALA CB C 19.758 0.300 1 415 43 43 ALA N N 121.821 0.300 1 416 44 44 VAL H H 7.864 0.030 1 417 44 44 VAL HA H 4.852 0.030 1 418 44 44 VAL HB H 1.783 0.030 1 419 44 44 VAL HG1 H 0.708 0.030 1 420 44 44 VAL HG2 H 0.785 0.030 1 421 44 44 VAL C C 175.964 0.300 1 422 44 44 VAL CA C 60.119 0.300 1 423 44 44 VAL CB C 34.737 0.300 1 424 44 44 VAL CG1 C 20.685 0.300 2 425 44 44 VAL CG2 C 21.276 0.300 2 426 44 44 VAL N N 119.816 0.300 1 427 45 45 CYS H H 9.134 0.030 1 428 45 45 CYS HA H 4.671 0.030 1 429 45 45 CYS HB2 H 3.458 0.030 2 430 45 45 CYS HB3 H 2.966 0.030 2 431 45 45 CYS C C 175.964 0.300 1 432 45 45 CYS CA C 57.565 0.300 1 433 45 45 CYS CB C 31.915 0.300 1 434 45 45 CYS N N 130.449 0.300 1 435 46 46 PRO HA H 4.271 0.030 1 436 46 46 PRO HB2 H 2.024 0.030 2 437 46 46 PRO HB3 H 1.225 0.030 2 438 46 46 PRO HG2 H 1.768 0.030 2 439 46 46 PRO HG3 H 0.947 0.030 2 440 46 46 PRO HD2 H 3.844 0.030 2 441 46 46 PRO HD3 H 4.086 0.030 2 442 46 46 PRO C C 176.140 0.300 1 443 46 46 PRO CA C 63.794 0.300 1 444 46 46 PRO CB C 31.974 0.300 1 445 46 46 PRO CG C 25.936 0.300 1 446 46 46 PRO CD C 51.501 0.300 1 447 47 47 TYR H H 8.906 0.030 1 448 47 47 TYR HA H 4.586 0.030 1 449 47 47 TYR HB2 H 2.819 0.030 2 450 47 47 TYR HB3 H 3.572 0.030 2 451 47 47 TYR HD1 H 7.236 0.030 1 452 47 47 TYR HD2 H 7.236 0.030 1 453 47 47 TYR HE1 H 6.892 0.030 1 454 47 47 TYR HE2 H 6.892 0.030 1 455 47 47 TYR C C 176.244 0.300 1 456 47 47 TYR CA C 58.569 0.300 1 457 47 47 TYR CB C 38.403 0.300 1 458 47 47 TYR CD1 C 133.302 0.300 1 459 47 47 TYR CD2 C 133.302 0.300 1 460 47 47 TYR CE1 C 118.501 0.300 1 461 47 47 TYR CE2 C 118.501 0.300 1 462 47 47 TYR N N 120.677 0.300 1 463 48 48 CYS H H 8.180 0.030 1 464 48 48 CYS HA H 4.683 0.030 1 465 48 48 CYS HB2 H 2.924 0.030 2 466 48 48 CYS HB3 H 2.424 0.030 2 467 48 48 CYS C C 176.034 0.300 1 468 48 48 CYS CA C 58.016 0.300 1 469 48 48 CYS CB C 33.069 0.300 1 470 48 48 CYS N N 116.043 0.300 1 471 49 49 SER H H 7.770 0.030 1 472 49 49 SER HA H 4.131 0.030 1 473 49 49 SER HB2 H 3.927 0.030 2 474 49 49 SER HB3 H 4.091 0.030 2 475 49 49 SER C C 173.048 0.300 1 476 49 49 SER CA C 61.015 0.300 1 477 49 49 SER CB C 62.046 0.300 1 478 49 49 SER N N 114.548 0.300 1 479 50 50 LEU H H 8.055 0.030 1 480 50 50 LEU HA H 4.050 0.030 1 481 50 50 LEU HB2 H 1.503 0.030 2 482 50 50 LEU HB3 H 0.894 0.030 2 483 50 50 LEU HG H 1.590 0.030 1 484 50 50 LEU HD1 H 0.816 0.030 1 485 50 50 LEU HD2 H 0.698 0.030 1 486 50 50 LEU C C 174.973 0.300 1 487 50 50 LEU CA C 56.215 0.300 1 488 50 50 LEU CB C 42.967 0.300 1 489 50 50 LEU CG C 27.042 0.300 1 490 50 50 LEU CD1 C 24.986 0.300 2 491 50 50 LEU CD2 C 23.445 0.300 2 492 50 50 LEU N N 123.825 0.300 1 493 51 51 ARG H H 7.762 0.030 1 494 51 51 ARG HA H 4.682 0.030 1 495 51 51 ARG HB2 H 1.522 0.030 1 496 51 51 ARG HB3 H 1.522 0.030 1 497 51 51 ARG HG2 H 1.340 0.030 2 498 51 51 ARG HG3 H 1.524 0.030 2 499 51 51 ARG HD2 H 3.091 0.030 1 500 51 51 ARG HD3 H 3.091 0.030 1 501 51 51 ARG C C 175.626 0.300 1 502 51 51 ARG CA C 55.261 0.300 1 503 51 51 ARG CB C 32.235 0.300 1 504 51 51 ARG CG C 28.289 0.300 1 505 51 51 ARG CD C 43.417 0.300 1 506 51 51 ARG N N 119.896 0.300 1 507 52 52 PHE H H 8.702 0.030 1 508 52 52 PHE HA H 4.539 0.030 1 509 52 52 PHE HB2 H 3.116 0.030 2 510 52 52 PHE HB3 H 2.716 0.030 2 511 52 52 PHE HD1 H 7.105 0.030 1 512 52 52 PHE HD2 H 7.105 0.030 1 513 52 52 PHE HE1 H 6.895 0.030 1 514 52 52 PHE HE2 H 6.895 0.030 1 515 52 52 PHE HZ H 6.214 0.030 1 516 52 52 PHE C C 175.818 0.300 1 517 52 52 PHE CA C 57.086 0.300 1 518 52 52 PHE CB C 43.317 0.300 1 519 52 52 PHE CD1 C 131.593 0.300 1 520 52 52 PHE CD2 C 131.593 0.300 1 521 52 52 PHE CE1 C 130.995 0.300 1 522 52 52 PHE CE2 C 130.995 0.300 1 523 52 52 PHE CZ C 129.247 0.300 1 524 52 52 PHE N N 120.682 0.300 1 525 53 53 PHE H H 8.982 0.030 1 526 53 53 PHE HA H 4.539 0.030 1 527 53 53 PHE HB2 H 3.273 0.030 2 528 53 53 PHE HB3 H 3.142 0.030 2 529 53 53 PHE HD1 H 7.279 0.030 1 530 53 53 PHE HD2 H 7.279 0.030 1 531 53 53 PHE HE1 H 7.339 0.030 1 532 53 53 PHE HE2 H 7.339 0.030 1 533 53 53 PHE HZ H 7.251 0.030 1 534 53 53 PHE C C 174.972 0.300 1 535 53 53 PHE CA C 58.889 0.300 1 536 53 53 PHE CB C 39.293 0.300 1 537 53 53 PHE CD1 C 131.485 0.300 1 538 53 53 PHE CD2 C 131.485 0.300 1 539 53 53 PHE CE1 C 131.460 0.300 1 540 53 53 PHE CE2 C 131.460 0.300 1 541 53 53 PHE CZ C 129.851 0.300 1 542 53 53 PHE N N 118.809 0.300 1 543 54 54 SER H H 7.476 0.030 1 544 54 54 SER HA H 5.156 0.030 1 545 54 54 SER HB2 H 4.326 0.030 2 546 54 54 SER HB3 H 3.920 0.030 2 547 54 54 SER C C 174.972 0.300 1 548 54 54 SER CA C 54.760 0.300 1 549 54 54 SER CB C 65.009 0.300 1 550 54 54 SER N N 110.442 0.300 1 551 55 55 PRO HA H 4.259 0.030 1 552 55 55 PRO HB2 H 2.414 0.030 2 553 55 55 PRO HB3 H 1.991 0.030 2 554 55 55 PRO HG2 H 2.253 0.030 2 555 55 55 PRO HG3 H 1.960 0.030 2 556 55 55 PRO HD2 H 4.046 0.030 2 557 55 55 PRO HD3 H 3.984 0.030 2 558 55 55 PRO C C 178.636 0.300 1 559 55 55 PRO CA C 64.973 0.300 1 560 55 55 PRO CB C 32.094 0.300 1 561 55 55 PRO CG C 27.888 0.300 1 562 55 55 PRO CD C 51.273 0.300 1 563 56 56 GLU H H 8.898 0.030 1 564 56 56 GLU HA H 4.042 0.030 1 565 56 56 GLU HB2 H 1.982 0.030 2 566 56 56 GLU HB3 H 2.087 0.030 2 567 56 56 GLU HG2 H 2.468 0.030 2 568 56 56 GLU HG3 H 2.294 0.030 2 569 56 56 GLU C C 179.508 0.300 1 570 56 56 GLU CA C 60.692 0.300 1 571 56 56 GLU CB C 28.594 0.300 1 572 56 56 GLU CG C 37.186 0.300 1 573 56 56 GLU N N 118.782 0.300 1 574 57 57 LEU H H 7.700 0.030 1 575 57 57 LEU HA H 4.163 0.030 1 576 57 57 LEU HB2 H 1.987 0.030 2 577 57 57 LEU HB3 H 1.689 0.030 2 578 57 57 LEU HG H 1.771 0.030 1 579 57 57 LEU HD1 H 1.206 0.030 1 580 57 57 LEU HD2 H 1.028 0.030 1 581 57 57 LEU C C 179.755 0.300 1 582 57 57 LEU CA C 57.378 0.300 1 583 57 57 LEU CB C 41.960 0.300 1 584 57 57 LEU CG C 27.655 0.300 1 585 57 57 LEU CD1 C 25.931 0.300 2 586 57 57 LEU CD2 C 22.947 0.300 2 587 57 57 LEU N N 120.786 0.300 1 588 58 58 LYS H H 7.527 0.030 1 589 58 58 LYS HA H 2.775 0.030 1 590 58 58 LYS HB2 H 1.974 0.030 2 591 58 58 LYS HB3 H 1.674 0.030 2 592 58 58 LYS HG2 H 1.224 0.030 1 593 58 58 LYS HG3 H 1.224 0.030 1 594 58 58 LYS HD2 H 1.607 0.030 1 595 58 58 LYS HD3 H 1.607 0.030 1 596 58 58 LYS HE2 H 2.925 0.030 1 597 58 58 LYS HE3 H 2.925 0.030 1 598 58 58 LYS C C 177.877 0.300 1 599 58 58 LYS CA C 59.577 0.300 1 600 58 58 LYS CB C 31.873 0.300 1 601 58 58 LYS CG C 23.940 0.300 1 602 58 58 LYS CD C 29.858 0.300 1 603 58 58 LYS CE C 42.195 0.300 1 604 58 58 LYS N N 122.248 0.300 1 605 59 59 GLN H H 8.370 0.030 1 606 59 59 GLN HA H 4.059 0.030 1 607 59 59 GLN HB2 H 2.170 0.030 1 608 59 59 GLN HB3 H 2.170 0.030 1 609 59 59 GLN HG2 H 2.511 0.030 2 610 59 59 GLN HG3 H 2.458 0.030 2 611 59 59 GLN HE21 H 6.883 0.030 2 612 59 59 GLN HE22 H 7.462 0.030 2 613 59 59 GLN C C 178.858 0.300 1 614 59 59 GLN CA C 59.043 0.300 1 615 59 59 GLN CB C 28.149 0.300 1 616 59 59 GLN CG C 34.093 0.300 1 617 59 59 GLN N N 119.802 0.300 1 618 59 59 GLN NE2 N 111.417 0.300 1 619 60 60 GLU H H 7.767 0.030 1 620 60 60 GLU HA H 4.051 0.030 1 621 60 60 GLU HB2 H 2.076 0.030 1 622 60 60 GLU HB3 H 2.076 0.030 1 623 60 60 GLU HG2 H 2.380 0.030 2 624 60 60 GLU HG3 H 2.236 0.030 2 625 60 60 GLU C C 178.828 0.300 1 626 60 60 GLU CA C 59.098 0.300 1 627 60 60 GLU CB C 29.692 0.300 1 628 60 60 GLU CG C 36.074 0.300 1 629 60 60 GLU N N 119.778 0.300 1 630 61 61 HIS H H 7.627 0.030 1 631 61 61 HIS HA H 4.218 0.030 1 632 61 61 HIS HB2 H 2.918 0.030 1 633 61 61 HIS HB3 H 2.918 0.030 1 634 61 61 HIS HD2 H 7.066 0.030 1 635 61 61 HIS HE1 H 8.238 0.030 1 636 61 61 HIS C C 177.773 0.300 1 637 61 61 HIS CA C 59.243 0.300 1 638 61 61 HIS CB C 28.199 0.300 1 639 61 61 HIS CD2 C 128.377 0.300 1 640 61 61 HIS CE1 C 139.406 0.300 1 641 61 61 HIS N N 117.992 0.300 1 642 62 62 GLU H H 8.659 0.030 1 643 62 62 GLU HA H 3.869 0.030 1 644 62 62 GLU HB2 H 2.343 0.030 2 645 62 62 GLU HB3 H 2.176 0.030 2 646 62 62 GLU HG2 H 2.613 0.030 1 647 62 62 GLU HG3 H 2.613 0.030 1 648 62 62 GLU C C 177.677 0.300 1 649 62 62 GLU CA C 60.549 0.300 1 650 62 62 GLU CB C 30.319 0.300 1 651 62 62 GLU CG C 37.178 0.300 1 652 62 62 GLU N N 119.668 0.300 1 653 63 63 SER H H 7.328 0.030 1 654 63 63 SER HA H 4.256 0.030 1 655 63 63 SER HB2 H 3.987 0.030 1 656 63 63 SER HB3 H 3.987 0.030 1 657 63 63 SER C C 174.792 0.300 1 658 63 63 SER CA C 60.680 0.300 1 659 63 63 SER CB C 63.475 0.300 1 660 63 63 SER N N 110.513 0.300 1 661 64 64 LYS H H 7.457 0.030 1 662 64 64 LYS HA H 4.510 0.030 1 663 64 64 LYS HB2 H 1.910 0.030 2 664 64 64 LYS HB3 H 1.724 0.030 2 665 64 64 LYS HG2 H 1.409 0.030 1 666 64 64 LYS HG3 H 1.409 0.030 1 667 64 64 LYS HD2 H 1.693 0.030 2 668 64 64 LYS HE2 H 2.979 0.030 2 669 64 64 LYS C C 175.516 0.300 1 670 64 64 LYS CA C 55.132 0.300 1 671 64 64 LYS CB C 33.836 0.300 1 672 64 64 LYS CG C 24.351 0.300 1 673 64 64 LYS CE C 42.252 0.300 1 674 64 64 LYS N N 118.913 0.300 1 675 65 65 CYS H H 7.153 0.030 1 676 65 65 CYS HA H 3.806 0.030 1 677 65 65 CYS HB2 H 2.832 0.030 2 678 65 65 CYS HB3 H 2.385 0.030 2 679 65 65 CYS C C 178.123 0.300 1 680 65 65 CYS CA C 61.828 0.300 1 681 65 65 CYS CB C 29.205 0.300 1 682 65 65 CYS N N 124.677 0.300 1 683 66 66 GLU H H 9.580 0.030 1 684 66 66 GLU HA H 4.050 0.030 1 685 66 66 GLU HB2 H 1.920 0.030 2 686 66 66 GLU HB3 H 1.960 0.030 2 687 66 66 GLU HG2 H 2.233 0.030 2 688 66 66 GLU C C 177.434 0.300 1 689 66 66 GLU CA C 58.969 0.300 1 690 66 66 GLU CB C 29.610 0.300 1 691 66 66 GLU CG C 36.224 0.300 1 692 66 66 GLU N N 132.020 0.300 1 693 67 67 TYR H H 8.597 0.030 1 694 67 67 TYR HA H 4.198 0.030 1 695 67 67 TYR HB2 H 3.074 0.030 2 696 67 67 TYR HB3 H 2.856 0.030 2 697 67 67 TYR HD1 H 7.253 0.030 1 698 67 67 TYR HD2 H 7.253 0.030 1 699 67 67 TYR HE1 H 6.945 0.030 1 700 67 67 TYR HE2 H 6.945 0.030 1 701 67 67 TYR C C 177.924 0.300 1 702 67 67 TYR CA C 60.227 0.300 1 703 67 67 TYR CB C 38.146 0.300 1 704 67 67 TYR CD1 C 133.277 0.300 1 705 67 67 TYR CD2 C 133.277 0.300 1 706 67 67 TYR CE1 C 118.488 0.300 1 707 67 67 TYR CE2 C 118.488 0.300 1 708 67 67 TYR N N 118.111 0.300 1 709 68 68 LYS H H 7.593 0.030 1 710 68 68 LYS HA H 3.204 0.030 1 711 68 68 LYS HB2 H 1.629 0.030 2 712 68 68 LYS HB3 H 1.209 0.030 2 713 68 68 LYS HG2 H 0.441 0.030 2 714 68 68 LYS HG3 H 0.885 0.030 2 715 68 68 LYS HD2 H 1.529 0.030 1 716 68 68 LYS HD3 H 1.529 0.030 1 717 68 68 LYS HE2 H 2.868 0.030 1 718 68 68 LYS HE3 H 2.868 0.030 1 719 68 68 LYS C C 177.950 0.300 1 720 68 68 LYS CA C 59.938 0.300 1 721 68 68 LYS CB C 32.375 0.300 1 722 68 68 LYS CG C 24.854 0.300 1 723 68 68 LYS CD C 29.723 0.300 1 724 68 68 LYS CE C 42.323 0.300 1 725 68 68 LYS N N 125.469 0.300 1 726 69 69 LYS H H 7.431 0.030 1 727 69 69 LYS HA H 4.195 0.030 1 728 69 69 LYS HB2 H 1.822 0.030 2 729 69 69 LYS HB3 H 1.859 0.030 2 730 69 69 LYS HG2 H 1.411 0.030 1 731 69 69 LYS HG3 H 1.411 0.030 1 732 69 69 LYS HD2 H 1.670 0.030 1 733 69 69 LYS HD3 H 1.670 0.030 1 734 69 69 LYS HE2 H 2.956 0.030 1 735 69 69 LYS HE3 H 2.956 0.030 1 736 69 69 LYS C C 176.448 0.300 1 737 69 69 LYS CA C 57.679 0.300 1 738 69 69 LYS CB C 32.172 0.300 1 739 69 69 LYS CG C 24.886 0.300 1 740 69 69 LYS CD C 29.236 0.300 1 741 69 69 LYS CE C 42.162 0.300 1 742 69 69 LYS N N 115.607 0.300 1 743 70 70 LEU H H 7.178 0.030 1 744 70 70 LEU HA H 4.481 0.030 1 745 70 70 LEU HB2 H 2.213 0.030 2 746 70 70 LEU HB3 H 1.685 0.030 2 747 70 70 LEU HG H 1.495 0.030 1 748 70 70 LEU HD1 H 0.765 0.030 1 749 70 70 LEU HD2 H 0.660 0.030 1 750 70 70 LEU C C 175.351 0.300 1 751 70 70 LEU CA C 54.308 0.300 1 752 70 70 LEU CB C 41.886 0.300 1 753 70 70 LEU CG C 26.746 0.300 1 754 70 70 LEU CD1 C 25.350 0.300 2 755 70 70 LEU CD2 C 22.328 0.300 2 756 70 70 LEU N N 118.332 0.300 1 757 71 71 THR H H 7.586 0.030 1 758 71 71 THR HA H 5.059 0.030 1 759 71 71 THR HB H 4.066 0.030 1 760 71 71 THR HG2 H 1.083 0.030 1 761 71 71 THR C C 173.142 0.300 1 762 71 71 THR CA C 62.118 0.300 1 763 71 71 THR CB C 71.021 0.300 1 764 71 71 THR CG2 C 20.427 0.300 1 765 71 71 THR N N 116.887 0.300 1 766 72 72 CYS H H 9.213 0.030 1 767 72 72 CYS HA H 4.648 0.030 1 768 72 72 CYS HB2 H 2.958 0.030 2 769 72 72 CYS HB3 H 3.256 0.030 2 770 72 72 CYS C C 176.488 0.300 1 771 72 72 CYS CA C 58.748 0.300 1 772 72 72 CYS CB C 29.915 0.300 1 773 72 72 CYS N N 127.580 0.300 1 774 73 73 LEU H H 9.251 0.030 1 775 73 73 LEU HA H 4.372 0.030 1 776 73 73 LEU HB2 H 1.817 0.030 2 777 73 73 LEU HB3 H 1.649 0.030 2 778 73 73 LEU HG H 1.822 0.030 1 779 73 73 LEU HD1 H 0.972 0.030 1 780 73 73 LEU HD2 H 0.899 0.030 1 781 73 73 LEU C C 177.939 0.300 1 782 73 73 LEU CA C 57.110 0.300 1 783 73 73 LEU CB C 40.953 0.300 1 784 73 73 LEU CG C 27.348 0.300 1 785 73 73 LEU CD1 C 25.350 0.300 2 786 73 73 LEU CD2 C 22.906 0.300 2 787 73 73 LEU N N 131.652 0.300 1 788 74 74 GLU H H 8.281 0.030 1 789 74 74 GLU HA H 4.205 0.030 1 790 74 74 GLU HB2 H 1.733 0.030 2 791 74 74 GLU HB3 H 1.822 0.030 2 792 74 74 GLU HG2 H 2.118 0.030 1 793 74 74 GLU HG3 H 2.118 0.030 1 794 74 74 GLU C C 177.939 0.300 1 795 74 74 GLU CA C 59.218 0.300 1 796 74 74 GLU CG C 36.408 0.300 1 797 74 74 GLU N N 119.636 0.300 1 798 75 75 CYS H H 8.183 0.030 1 799 75 75 CYS HA H 4.571 0.030 1 800 75 75 CYS HB2 H 3.171 0.030 2 801 75 75 CYS HB3 H 2.951 0.030 2 802 75 75 CYS CA C 60.274 0.300 1 803 75 75 CYS CB C 30.893 0.300 1 804 75 75 CYS N N 116.768 0.300 1 805 76 76 MET H H 8.394 0.030 1 806 76 76 MET HA H 4.272 0.030 1 807 76 76 MET HB2 H 2.268 0.030 2 808 76 76 MET HB3 H 2.205 0.030 2 809 76 76 MET HG2 H 2.649 0.030 2 810 76 76 MET HG3 H 2.485 0.030 2 811 76 76 MET HE H 2.034 0.030 1 812 76 76 MET CA C 55.377 0.300 1 813 76 76 MET CB C 27.888 0.300 1 814 76 76 MET CG C 32.538 0.300 1 815 76 76 MET CE C 16.229 0.300 1 816 76 76 MET N N 118.053 0.300 1 817 77 77 ARG H H 7.436 0.030 1 818 77 77 ARG HA H 4.535 0.030 1 819 77 77 ARG HB2 H 1.367 0.030 1 820 77 77 ARG HB3 H 1.367 0.030 1 821 77 77 ARG HG2 H 1.263 0.030 2 822 77 77 ARG HG3 H 1.591 0.030 2 823 77 77 ARG HD2 H 2.970 0.030 2 824 77 77 ARG HD3 H 3.155 0.030 2 825 77 77 ARG CA C 58.294 0.300 1 826 77 77 ARG CB C 34.214 0.300 1 827 77 77 ARG CG C 27.086 0.300 1 828 77 77 ARG CD C 43.785 0.300 1 829 77 77 ARG N N 118.045 0.300 1 830 78 78 THR H H 8.408 0.030 1 831 78 78 THR HA H 4.924 0.030 1 832 78 78 THR HB H 3.858 0.030 1 833 78 78 THR HG2 H 1.333 0.030 1 834 78 78 THR C C 173.756 0.300 1 835 78 78 THR CA C 62.192 0.300 1 836 78 78 THR CB C 70.666 0.300 1 837 78 78 THR CG2 C 22.419 0.300 1 838 79 79 PHE H H 8.883 0.030 1 839 79 79 PHE HA H 4.634 0.030 1 840 79 79 PHE HB2 H 2.817 0.030 2 841 79 79 PHE HB3 H 3.404 0.030 2 842 79 79 PHE HD1 H 7.322 0.030 1 843 79 79 PHE HD2 H 7.322 0.030 1 844 79 79 PHE HE1 H 6.860 0.030 1 845 79 79 PHE HE2 H 6.860 0.030 1 846 79 79 PHE HZ H 5.876 0.030 1 847 79 79 PHE C C 175.264 0.300 1 848 79 79 PHE CA C 57.793 0.300 1 849 79 79 PHE CB C 42.355 0.300 1 850 79 79 PHE CD1 C 132.190 0.300 1 851 79 79 PHE CD2 C 132.190 0.300 1 852 79 79 PHE CE1 C 130.538 0.300 1 853 79 79 PHE CE2 C 130.538 0.300 1 854 79 79 PHE CZ C 127.764 0.300 1 855 79 79 PHE N N 124.290 0.300 1 856 80 80 LYS H H 8.923 0.030 1 857 80 80 LYS HA H 4.469 0.030 1 858 80 80 LYS HB2 H 2.088 0.030 2 859 80 80 LYS HB3 H 1.955 0.030 2 860 80 80 LYS HG2 H 1.599 0.030 2 861 80 80 LYS HG3 H 1.542 0.030 2 862 80 80 LYS HD2 H 1.754 0.030 1 863 80 80 LYS HD3 H 1.754 0.030 1 864 80 80 LYS HE2 H 3.047 0.030 2 865 80 80 LYS C C 176.627 0.300 1 866 80 80 LYS CA C 56.827 0.300 1 867 80 80 LYS CB C 33.492 0.300 1 868 80 80 LYS CG C 25.168 0.300 1 869 80 80 LYS CD C 28.970 0.300 1 870 80 80 LYS CE C 42.180 0.300 1 871 80 80 LYS N N 115.497 0.300 1 872 81 81 SER H H 7.601 0.030 1 873 81 81 SER HA H 4.912 0.030 1 874 81 81 SER HB2 H 4.402 0.030 2 875 81 81 SER HB3 H 4.075 0.030 2 876 81 81 SER C C 176.627 0.300 1 877 81 81 SER CA C 56.531 0.300 1 878 81 81 SER CB C 67.128 0.300 1 879 81 81 SER N N 109.790 0.300 1 880 82 82 SER HA H 4.182 0.030 1 881 82 82 SER HB2 H 3.864 0.030 2 882 82 82 SER C C 176.627 0.300 1 883 82 82 SER CA C 61.145 0.300 1 884 82 82 SER CB C 62.292 0.300 1 885 83 83 PHE H H 8.466 0.030 1 886 83 83 PHE HA H 4.440 0.030 1 887 83 83 PHE HB2 H 3.037 0.030 2 888 83 83 PHE HB3 H 3.338 0.030 2 889 83 83 PHE HD1 H 7.297 0.030 1 890 83 83 PHE HD2 H 7.297 0.030 1 891 83 83 PHE HE1 H 7.461 0.030 1 892 83 83 PHE HE2 H 7.461 0.030 1 893 83 83 PHE HZ H 7.415 0.030 1 894 83 83 PHE C C 176.884 0.300 1 895 83 83 PHE CA C 61.690 0.300 1 896 83 83 PHE CB C 39.467 0.300 1 897 83 83 PHE CD1 C 131.901 0.300 1 898 83 83 PHE CD2 C 131.901 0.300 1 899 83 83 PHE CE1 C 131.756 0.300 1 900 83 83 PHE CE2 C 131.756 0.300 1 901 83 83 PHE CZ C 130.044 0.300 1 902 83 83 PHE N N 123.258 0.300 1 903 84 84 SER H H 8.111 0.030 1 904 84 84 SER HA H 4.202 0.030 1 905 84 84 SER HB2 H 4.223 0.030 1 906 84 84 SER HB3 H 4.223 0.030 1 907 84 84 SER C C 177.852 0.300 1 908 84 84 SER CA C 61.989 0.300 1 909 84 84 SER CB C 63.384 0.300 1 910 84 84 SER N N 114.006 0.300 1 911 85 85 ILE H H 7.819 0.030 1 912 85 85 ILE HA H 3.320 0.030 1 913 85 85 ILE HB H 1.565 0.030 1 914 85 85 ILE HG12 H 1.215 0.030 2 915 85 85 ILE HG13 H 1.114 0.030 2 916 85 85 ILE HG2 H 1.261 0.030 1 917 85 85 ILE HD1 H 0.797 0.030 1 918 85 85 ILE C C 175.714 0.300 1 919 85 85 ILE CA C 63.662 0.300 1 920 85 85 ILE CB C 37.089 0.300 1 921 85 85 ILE CG1 C 30.353 0.300 1 922 85 85 ILE CG2 C 16.913 0.300 1 923 85 85 ILE CD1 C 13.998 0.300 1 924 85 85 ILE N N 120.708 0.300 1 925 86 86 TRP H H 7.776 0.030 1 926 86 86 TRP HA H 4.468 0.030 1 927 86 86 TRP HB2 H 3.295 0.030 2 928 86 86 TRP HB3 H 3.446 0.030 2 929 86 86 TRP HD1 H 7.233 0.030 1 930 86 86 TRP HE1 H 9.985 0.030 1 931 86 86 TRP HE3 H 7.288 0.030 1 932 86 86 TRP HZ2 H 7.448 0.030 1 933 86 86 TRP HZ3 H 7.096 0.030 1 934 86 86 TRP HH2 H 7.203 0.030 1 935 86 86 TRP C C 177.384 0.300 1 936 86 86 TRP CA C 61.083 0.300 1 937 86 86 TRP CB C 27.514 0.300 1 938 86 86 TRP CD1 C 127.244 0.300 1 939 86 86 TRP CE3 C 120.703 0.300 1 940 86 86 TRP CZ2 C 114.657 0.300 1 941 86 86 TRP CZ3 C 121.735 0.300 1 942 86 86 TRP CH2 C 123.930 0.300 1 943 86 86 TRP N N 126.291 0.300 1 944 86 86 TRP NE1 N 130.382 0.300 1 945 87 87 ARG H H 8.126 0.030 1 946 87 87 ARG HA H 3.114 0.030 1 947 87 87 ARG HB2 H 1.623 0.030 1 948 87 87 ARG HB3 H 1.623 0.030 1 949 87 87 ARG HG2 H 1.448 0.030 2 950 87 87 ARG HG3 H 1.233 0.030 2 951 87 87 ARG HD2 H 2.480 0.030 2 952 87 87 ARG HD3 H 2.910 0.030 2 953 87 87 ARG C C 178.043 0.300 1 954 87 87 ARG CA C 57.473 0.300 1 955 87 87 ARG CB C 28.010 0.300 1 956 87 87 ARG CG C 24.846 0.300 1 957 87 87 ARG CD C 41.903 0.300 1 958 87 87 ARG N N 115.737 0.300 1 959 88 88 HIS H H 7.423 0.030 1 960 88 88 HIS HA H 4.181 0.030 1 961 88 88 HIS HB2 H 2.692 0.030 2 962 88 88 HIS HB3 H 3.146 0.030 2 963 88 88 HIS HD2 H 6.857 0.030 1 964 88 88 HIS HE1 H 8.255 0.030 1 965 88 88 HIS C C 176.653 0.300 1 966 88 88 HIS CA C 59.517 0.300 1 967 88 88 HIS CB C 28.197 0.300 1 968 88 88 HIS CD2 C 127.126 0.300 1 969 88 88 HIS CE1 C 139.648 0.300 1 970 88 88 HIS N N 117.192 0.300 1 971 89 89 GLN H H 8.416 0.030 1 972 89 89 GLN HA H 3.756 0.030 1 973 89 89 GLN HB2 H 2.446 0.030 2 974 89 89 GLN HB3 H 1.994 0.030 2 975 89 89 GLN HG2 H 2.589 0.030 2 976 89 89 GLN HG3 H 2.713 0.030 2 977 89 89 GLN HE21 H 7.329 0.030 2 978 89 89 GLN HE22 H 6.847 0.030 2 979 89 89 GLN C C 178.982 0.300 1 980 89 89 GLN CA C 59.909 0.300 1 981 89 89 GLN CB C 27.297 0.300 1 982 89 89 GLN CG C 34.229 0.300 1 983 89 89 GLN N N 119.461 0.300 1 984 89 89 GLN NE2 N 109.898 0.300 1 985 90 90 VAL H H 7.864 0.030 1 986 90 90 VAL HA H 3.465 0.030 1 987 90 90 VAL HB H 1.578 0.030 1 988 90 90 VAL HG1 H 0.655 0.030 1 989 90 90 VAL HG2 H 0.337 0.030 1 990 90 90 VAL C C 178.201 0.300 1 991 90 90 VAL CA C 66.054 0.300 1 992 90 90 VAL CB C 32.333 0.300 1 993 90 90 VAL CG1 C 20.845 0.300 2 994 90 90 VAL CG2 C 21.307 0.300 2 995 90 90 VAL N N 118.609 0.300 1 996 91 91 GLU H H 8.278 0.030 1 997 91 91 GLU HA H 3.908 0.030 1 998 91 91 GLU HB2 H 1.953 0.030 2 999 91 91 GLU HB3 H 1.880 0.030 2 1000 91 91 GLU HG2 H 2.149 0.030 2 1001 91 91 GLU HG3 H 2.348 0.030 2 1002 91 91 GLU C C 178.325 0.300 1 1003 91 91 GLU CA C 58.950 0.300 1 1004 91 91 GLU CB C 30.355 0.300 1 1005 91 91 GLU CG C 36.834 0.300 1 1006 91 91 GLU N N 117.094 0.300 1 1007 92 92 VAL H H 8.262 0.030 1 1008 92 92 VAL HA H 3.798 0.030 1 1009 92 92 VAL HB H 0.898 0.030 1 1010 92 92 VAL HG1 H 0.192 0.030 1 1011 92 92 VAL HG2 H 0.749 0.030 1 1012 92 92 VAL C C 176.420 0.300 1 1013 92 92 VAL CA C 63.928 0.300 1 1014 92 92 VAL CB C 32.102 0.300 1 1015 92 92 VAL CG1 C 20.801 0.300 2 1016 92 92 VAL CG2 C 22.798 0.300 2 1017 92 92 VAL N N 116.103 0.300 1 1018 93 93 HIS H H 6.572 0.030 1 1019 93 93 HIS HA H 4.910 0.030 1 1020 93 93 HIS HB2 H 3.201 0.030 2 1021 93 93 HIS HB3 H 3.455 0.030 2 1022 93 93 HIS HD2 H 6.444 0.030 1 1023 93 93 HIS HE1 H 7.794 0.030 1 1024 93 93 HIS C C 174.555 0.300 1 1025 93 93 HIS CA C 54.493 0.300 1 1026 93 93 HIS CB C 28.998 0.300 1 1027 93 93 HIS CD2 C 127.296 0.300 1 1028 93 93 HIS CE1 C 139.543 0.300 1 1029 93 93 HIS N N 114.183 0.300 1 1030 94 94 ASN H H 7.536 0.030 1 1031 94 94 ASN HA H 4.618 0.030 1 1032 94 94 ASN HB2 H 3.022 0.030 2 1033 94 94 ASN HB3 H 2.720 0.030 2 1034 94 94 ASN HD21 H 7.498 0.030 2 1035 94 94 ASN HD22 H 6.800 0.030 2 1036 94 94 ASN C C 174.948 0.300 1 1037 94 94 ASN CA C 54.113 0.300 1 1038 94 94 ASN CB C 38.014 0.300 1 1039 94 94 ASN N N 116.965 0.300 1 1040 94 94 ASN ND2 N 111.941 0.300 1 1041 95 95 GLN H H 8.056 0.030 1 1042 95 95 GLN HA H 4.300 0.030 1 1043 95 95 GLN HB2 H 1.971 0.030 2 1044 95 95 GLN HB3 H 1.740 0.030 2 1045 95 95 GLN HG2 H 2.299 0.030 1 1046 95 95 GLN HG3 H 2.299 0.030 1 1047 95 95 GLN HE21 H 7.413 0.030 2 1048 95 95 GLN HE22 H 6.774 0.030 2 1049 95 95 GLN C C 175.457 0.300 1 1050 95 95 GLN CA C 55.850 0.300 1 1051 95 95 GLN CB C 29.428 0.300 1 1052 95 95 GLN CG C 33.820 0.300 1 1053 95 95 GLN N N 118.550 0.300 1 1054 95 95 GLN NE2 N 111.855 0.300 1 1055 96 96 ASN H H 8.490 0.030 1 1056 96 96 ASN HA H 4.743 0.030 1 1057 96 96 ASN HB2 H 2.888 0.030 2 1058 96 96 ASN HB3 H 2.760 0.030 2 1059 96 96 ASN HD21 H 7.550 0.030 2 1060 96 96 ASN HD22 H 6.917 0.030 2 1061 96 96 ASN C C 175.090 0.300 1 1062 96 96 ASN CA C 53.110 0.300 1 1063 96 96 ASN CB C 38.820 0.300 1 1064 96 96 ASN N N 119.593 0.300 1 1065 96 96 ASN ND2 N 112.068 0.300 1 1066 97 97 ASN H H 8.370 0.030 1 1067 97 97 ASN HA H 4.725 0.030 1 1068 97 97 ASN HB2 H 2.750 0.030 2 1069 97 97 ASN HB3 H 2.884 0.030 2 1070 97 97 ASN HD21 H 7.609 0.030 2 1071 97 97 ASN HD22 H 6.924 0.030 2 1072 97 97 ASN C C 175.306 0.300 1 1073 97 97 ASN CA C 53.447 0.300 1 1074 97 97 ASN CB C 38.882 0.300 1 1075 97 97 ASN N N 118.825 0.300 1 1076 97 97 ASN ND2 N 112.843 0.300 1 1077 98 98 MET H H 8.310 0.030 1 1078 98 98 MET HA H 4.459 0.030 1 1079 98 98 MET HB2 H 1.989 0.030 2 1080 98 98 MET HB3 H 2.086 0.030 2 1081 98 98 MET HG2 H 2.516 0.030 2 1082 98 98 MET HG3 H 2.582 0.030 2 1083 98 98 MET HE H 2.066 0.030 1 1084 98 98 MET C C 175.447 0.300 1 1085 98 98 MET CA C 55.418 0.300 1 1086 98 98 MET CB C 32.936 0.300 1 1087 98 98 MET CG C 32.087 0.300 1 1088 98 98 MET CE C 16.978 0.300 1 1089 98 98 MET N N 120.172 0.300 1 1090 99 99 ALA H H 8.160 0.030 1 1091 99 99 ALA HA H 4.129 0.030 1 1092 99 99 ALA HB H 1.185 0.030 1 1093 99 99 ALA C C 175.447 0.300 1 1094 99 99 ALA CA C 50.505 0.300 1 1095 99 99 ALA CB C 17.895 0.300 1 1096 99 99 ALA N N 125.990 0.300 1 1097 100 100 PRO HA H 4.406 0.030 1 1098 100 100 PRO HB2 H 2.223 0.030 2 1099 100 100 PRO HB3 H 1.910 0.030 2 1100 100 100 PRO HG2 H 1.931 0.030 1 1101 100 100 PRO HG3 H 1.931 0.030 1 1102 100 100 PRO HD2 H 3.504 0.030 2 1103 100 100 PRO HD3 H 3.418 0.030 2 1104 100 100 PRO C C 177.218 0.300 1 1105 100 100 PRO CA C 63.029 0.300 1 1106 100 100 PRO CB C 31.971 0.300 1 1107 100 100 PRO CG C 27.314 0.300 1 1108 100 100 PRO CD C 50.255 0.300 1 1109 101 101 THR H H 8.157 0.030 1 1110 101 101 THR HA H 4.358 0.030 1 1111 101 101 THR HB H 4.274 0.030 1 1112 101 101 THR HG2 H 1.215 0.030 1 1113 101 101 THR C C 174.614 0.300 1 1114 101 101 THR CA C 61.709 0.300 1 1115 101 101 THR CB C 69.865 0.300 1 1116 101 101 THR CG2 C 21.611 0.300 1 1117 101 101 THR N N 113.583 0.300 1 1118 102 102 SER H H 8.236 0.030 1 1119 102 102 SER HA H 4.524 0.030 1 1120 102 102 SER HB2 H 3.883 0.030 1 1121 102 102 SER HB3 H 3.883 0.030 1 1122 102 102 SER C C 174.396 0.300 1 1123 102 102 SER CA C 58.156 0.300 1 1124 102 102 SER CB C 64.072 0.300 1 1125 102 102 SER N N 117.465 0.300 1 1126 103 103 GLY H H 8.228 0.030 1 1127 103 103 GLY HA2 H 4.047 0.030 2 1128 103 103 GLY HA3 H 4.078 0.030 2 1129 103 103 GLY C C 174.396 0.300 1 1130 103 103 GLY CA C 44.574 0.300 1 1131 103 103 GLY N N 110.551 0.300 1 1132 104 104 PRO HA H 4.448 0.030 1 1133 104 104 PRO HB2 H 2.277 0.030 2 1134 104 104 PRO HB3 H 1.979 0.030 2 1135 104 104 PRO HG2 H 1.997 0.030 2 1136 104 104 PRO HD2 H 3.598 0.030 2 1137 104 104 PRO HD3 H 3.540 0.030 2 1138 104 104 PRO C C 177.362 0.300 1 1139 104 104 PRO CA C 63.270 0.300 1 1140 104 104 PRO CB C 32.177 0.300 1 1141 104 104 PRO CG C 27.133 0.300 1 1142 104 104 PRO CD C 49.729 0.300 1 1143 105 105 SER H H 8.511 0.030 1 1144 105 105 SER HA H 4.503 0.030 1 1145 105 105 SER HB2 H 3.890 0.030 2 1146 105 105 SER HB3 H 3.930 0.030 2 1147 105 105 SER C C 174.654 0.300 1 1148 105 105 SER CA C 58.398 0.300 1 1149 105 105 SER CB C 63.801 0.300 1 1150 105 105 SER N N 116.332 0.300 1 1151 106 106 SER H H 8.315 0.030 1 1152 106 106 SER HA H 4.493 0.030 1 1153 106 106 SER HB2 H 3.872 0.030 2 1154 106 106 SER HB3 H 3.912 0.030 2 1155 106 106 SER C C 173.935 0.300 1 1156 106 106 SER CA C 58.418 0.300 1 1157 106 106 SER CB C 64.070 0.300 1 1158 106 106 SER N N 117.757 0.300 1 1159 107 107 GLY H H 8.044 0.030 1 1160 107 107 GLY C C 173.935 0.300 1 1161 107 107 GLY CA C 46.243 0.300 1 1162 107 107 GLY N N 116.843 0.300 1 stop_ save_