data_10148 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of three zf-C2H2 domains from mouse protein odd-skipped-related 2 splicing isoform 2 ; _BMRB_accession_number 10148 _BMRB_flat_file_name bmr10148.str _Entry_type original _Submission_date 2007-12-04 _Accession_date 2007-12-05 _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 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 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" 607 "13C chemical shifts" 456 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-12-10 original author . stop_ _Original_release_date 2008-12-10 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of three zf-C2H2 domains from mouse protein odd-skipped-related 2 splicing isoform 2 ; _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 Koshiba S. . . 3 Watanabe S. . . 4 Harada T. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation 'Not known' _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 'Protein odd-skipped-related 2' _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 'ZINC ION No.3' $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 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; GSSGSSGGRLPSKTKKEFIC KFCGRHFTKSYNLLIHERTH TDERPYTCDICHKAFRRQDH LRDHRYIHSKEKPFKCQECG KGFCQSRTLAVHKTLHMQTS SPTAAS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 ARG 10 LEU 11 PRO 12 SER 13 LYS 14 THR 15 LYS 16 LYS 17 GLU 18 PHE 19 ILE 20 CYS 21 LYS 22 PHE 23 CYS 24 GLY 25 ARG 26 HIS 27 PHE 28 THR 29 LYS 30 SER 31 TYR 32 ASN 33 LEU 34 LEU 35 ILE 36 HIS 37 GLU 38 ARG 39 THR 40 HIS 41 THR 42 ASP 43 GLU 44 ARG 45 PRO 46 TYR 47 THR 48 CYS 49 ASP 50 ILE 51 CYS 52 HIS 53 LYS 54 ALA 55 PHE 56 ARG 57 ARG 58 GLN 59 ASP 60 HIS 61 LEU 62 ARG 63 ASP 64 HIS 65 ARG 66 TYR 67 ILE 68 HIS 69 SER 70 LYS 71 GLU 72 LYS 73 PRO 74 PHE 75 LYS 76 CYS 77 GLN 78 GLU 79 CYS 80 GLY 81 LYS 82 GLY 83 PHE 84 CYS 85 GLN 86 SER 87 ARG 88 THR 89 LEU 90 ALA 91 VAL 92 HIS 93 LYS 94 THR 95 LEU 96 HIS 97 MET 98 GLN 99 THR 100 SER 101 SER 102 PRO 103 THR 104 ALA 105 ALA 106 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 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 2EE8 "Solution Structure Of Three Zf-C2h2 Domains From Mouse Protein Odd-Skipped-Related 2 Splicing Isoform 2" 100.00 106 100.00 100.00 1.49e-70 DBJ BAC34859 "unnamed protein product [Mus musculus]" 95.28 276 99.01 99.01 1.07e-65 DBJ BAF84180 "unnamed protein product [Homo sapiens]" 95.28 276 99.01 99.01 1.52e-65 GB AAH13504 "Odd-skipped related 2 (Drosophila) [Mus musculus]" 95.28 276 99.01 99.01 1.21e-65 GB AAH16936 "Odd-skipped related 2 (Drosophila) [Homo sapiens]" 95.28 276 99.01 99.01 1.52e-65 GB AAH79211 "Odd-skipped related 2 (Drosophila) [Rattus norvegicus]" 95.28 276 99.01 99.01 1.22e-65 GB AAI02144 "Odd-skipped related 2 (Drosophila) [Bos taurus]" 95.28 276 99.01 99.01 1.11e-65 GB AAI08580 "MGC131074 protein [Xenopus laevis]" 95.28 271 97.03 97.03 6.66e-65 REF NP_001012118 "protein odd-skipped-related 2 [Rattus norvegicus]" 95.28 276 99.01 99.01 1.22e-65 REF NP_001029500 "protein odd-skipped-related 2 [Bos taurus]" 95.28 276 99.01 99.01 1.11e-65 REF NP_001089872 "protein odd-skipped-related 2-A [Xenopus laevis]" 95.28 271 97.03 97.03 6.66e-65 REF NP_001090353 "protein odd-skipped-related 2-B [Xenopus laevis]" 95.28 271 97.03 97.03 8.82e-65 REF NP_001163815 "protein odd-skipped-related 2 [Gallus gallus]" 87.74 412 98.92 98.92 3.64e-61 SP Q0IHB8 "RecName: Full=Protein odd-skipped-related 2-B" 95.28 271 97.03 97.03 8.82e-65 SP Q32NK7 "RecName: Full=Protein odd-skipped-related 2-A; Short=XOsr2" 95.28 271 97.03 97.03 6.66e-65 SP Q3T135 "RecName: Full=Protein odd-skipped-related 2" 95.28 276 99.01 99.01 1.11e-65 SP Q6AY34 "RecName: Full=Protein odd-skipped-related 2" 95.28 276 99.01 99.01 1.22e-65 TPG DAA22584 "TPA: protein odd-skipped-related 2 [Bos taurus]" 95.28 276 99.01 99.01 1.11e-65 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 Jul 6 16:29:02 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 mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P060529-15 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 0.86 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20060524 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 0.9823 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 'Guentert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_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_ ####################### # 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 '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 GLY CA C 45.171 0.300 1 2 8 8 GLY HA2 H 3.976 0.030 1 3 8 8 GLY HA3 H 3.976 0.030 1 4 8 8 GLY C C 173.956 0.300 1 5 9 9 ARG N N 120.445 0.300 1 6 9 9 ARG H H 8.126 0.030 1 7 9 9 ARG CA C 55.873 0.300 1 8 9 9 ARG HA H 4.318 0.030 1 9 9 9 ARG CB C 30.899 0.300 1 10 9 9 ARG HB2 H 1.799 0.030 2 11 9 9 ARG HB3 H 1.719 0.030 2 12 9 9 ARG CG C 27.055 0.300 1 13 9 9 ARG HG2 H 1.579 0.030 1 14 9 9 ARG HG3 H 1.579 0.030 1 15 9 9 ARG CD C 43.359 0.300 1 16 9 9 ARG HD2 H 3.157 0.030 1 17 9 9 ARG HD3 H 3.157 0.030 1 18 9 9 ARG C C 176.192 0.300 1 19 10 10 LEU N N 125.156 0.300 1 20 10 10 LEU H H 8.357 0.030 1 21 10 10 LEU CA C 53.058 0.300 1 22 10 10 LEU HA H 4.589 0.030 1 23 10 10 LEU CB C 41.599 0.300 1 24 10 10 LEU HB2 H 1.590 0.030 2 25 10 10 LEU HB3 H 1.534 0.030 2 26 10 10 LEU CG C 27.197 0.300 1 27 10 10 LEU HG H 1.657 0.030 1 28 10 10 LEU CD1 C 25.190 0.300 2 29 10 10 LEU HD1 H 0.921 0.030 1 30 10 10 LEU CD2 C 23.281 0.300 2 31 10 10 LEU HD2 H 0.889 0.030 1 32 10 10 LEU C C 175.327 0.300 1 33 11 11 PRO CA C 63.064 0.300 1 34 11 11 PRO HA H 4.416 0.030 1 35 11 11 PRO CB C 32.095 0.300 1 36 11 11 PRO HB2 H 1.882 0.030 2 37 11 11 PRO HB3 H 2.289 0.030 2 38 11 11 PRO CG C 27.345 0.300 1 39 11 11 PRO HG2 H 2.005 0.030 1 40 11 11 PRO HG3 H 2.005 0.030 1 41 11 11 PRO CD C 50.592 0.300 1 42 11 11 PRO HD2 H 3.627 0.030 2 43 11 11 PRO HD3 H 3.830 0.030 2 44 13 13 LYS CA C 56.353 0.300 1 45 13 13 LYS HA H 4.383 0.030 1 46 13 13 LYS CB C 33.019 0.300 1 47 13 13 LYS HB2 H 1.857 0.030 2 48 13 13 LYS HB3 H 1.746 0.030 2 49 13 13 LYS CG C 24.812 0.300 1 50 13 13 LYS HG2 H 1.410 0.030 1 51 13 13 LYS HG3 H 1.410 0.030 1 52 13 13 LYS CD C 28.934 0.300 1 53 13 13 LYS HD2 H 1.654 0.030 1 54 13 13 LYS HD3 H 1.654 0.030 1 55 13 13 LYS CE C 42.205 0.300 1 56 13 13 LYS HE2 H 2.958 0.030 1 57 13 13 LYS HE3 H 2.958 0.030 1 58 13 13 LYS C C 176.694 0.300 1 59 14 14 THR N N 115.691 0.300 1 60 14 14 THR H H 8.140 0.030 1 61 14 14 THR CA C 61.919 0.300 1 62 14 14 THR HA H 4.265 0.030 1 63 14 14 THR CB C 69.860 0.300 1 64 14 14 THR HB H 4.123 0.030 1 65 14 14 THR CG2 C 21.746 0.300 1 66 14 14 THR HG2 H 1.166 0.030 1 67 14 14 THR C C 174.261 0.300 1 68 15 15 LYS N N 124.645 0.300 1 69 15 15 LYS H H 8.323 0.030 1 70 15 15 LYS CA C 56.226 0.300 1 71 15 15 LYS HA H 4.278 0.030 1 72 15 15 LYS CB C 33.220 0.300 1 73 15 15 LYS HB2 H 1.700 0.030 2 74 15 15 LYS HB3 H 1.757 0.030 2 75 15 15 LYS CG C 24.565 0.300 1 76 15 15 LYS HG2 H 1.320 0.030 1 77 15 15 LYS HG3 H 1.320 0.030 1 78 15 15 LYS CD C 29.264 0.300 1 79 15 15 LYS HD2 H 1.648 0.030 1 80 15 15 LYS HD3 H 1.648 0.030 1 81 15 15 LYS CE C 42.122 0.300 1 82 15 15 LYS HE2 H 2.976 0.030 1 83 15 15 LYS HE3 H 2.976 0.030 1 84 15 15 LYS C C 175.921 0.300 1 85 16 16 LYS N N 123.830 0.300 1 86 16 16 LYS H H 8.332 0.030 1 87 16 16 LYS CA C 55.966 0.300 1 88 16 16 LYS HA H 4.192 0.030 1 89 16 16 LYS CB C 33.028 0.300 1 90 16 16 LYS HB2 H 1.609 0.030 1 91 16 16 LYS HB3 H 1.609 0.030 1 92 16 16 LYS CG C 24.650 0.300 1 93 16 16 LYS HG2 H 1.221 0.030 1 94 16 16 LYS HG3 H 1.221 0.030 1 95 16 16 LYS CD C 29.042 0.300 1 96 16 16 LYS HD2 H 1.602 0.030 1 97 16 16 LYS HD3 H 1.602 0.030 1 98 16 16 LYS CE C 42.194 0.300 1 99 16 16 LYS HE2 H 2.891 0.030 1 100 16 16 LYS HE3 H 2.891 0.030 1 101 16 16 LYS C C 175.334 0.300 1 102 17 17 GLU N N 121.077 0.300 1 103 17 17 GLU H H 7.931 0.030 1 104 17 17 GLU CA C 55.463 0.300 1 105 17 17 GLU HA H 4.300 0.030 1 106 17 17 GLU CB C 31.984 0.300 1 107 17 17 GLU HB2 H 1.765 0.030 2 108 17 17 GLU HB3 H 1.693 0.030 2 109 17 17 GLU CG C 36.506 0.300 1 110 17 17 GLU HG2 H 1.989 0.030 2 111 17 17 GLU HG3 H 2.057 0.030 2 112 17 17 GLU C C 174.646 0.300 1 113 18 18 PHE N N 121.605 0.300 1 114 18 18 PHE H H 8.560 0.030 1 115 18 18 PHE CA C 56.963 0.300 1 116 18 18 PHE HA H 4.675 0.030 1 117 18 18 PHE CB C 39.653 0.300 1 118 18 18 PHE HB2 H 2.937 0.030 2 119 18 18 PHE HB3 H 2.993 0.030 2 120 18 18 PHE CD1 C 131.555 0.300 1 121 18 18 PHE HD1 H 7.040 0.030 1 122 18 18 PHE CD2 C 131.555 0.300 1 123 18 18 PHE HD2 H 7.040 0.030 1 124 18 18 PHE CE1 C 131.477 0.300 1 125 18 18 PHE HE1 H 7.306 0.030 1 126 18 18 PHE CE2 C 131.477 0.300 1 127 18 18 PHE HE2 H 7.306 0.030 1 128 18 18 PHE C C 173.933 0.300 1 129 19 19 ILE N N 123.977 0.300 1 130 19 19 ILE H H 8.425 0.030 1 131 19 19 ILE CA C 59.740 0.300 1 132 19 19 ILE HA H 4.654 0.030 1 133 19 19 ILE CB C 41.000 0.300 1 134 19 19 ILE HB H 1.450 0.030 1 135 19 19 ILE CG1 C 27.048 0.300 1 136 19 19 ILE HG12 H 0.101 0.030 2 137 19 19 ILE HG13 H 1.097 0.030 2 138 19 19 ILE CG2 C 16.793 0.300 1 139 19 19 ILE HG2 H 0.612 0.030 1 140 19 19 ILE CD1 C 13.459 0.300 1 141 19 19 ILE HD1 H 0.573 0.030 1 142 19 19 ILE C C 175.584 0.300 1 143 20 20 CYS N N 129.741 0.300 1 144 20 20 CYS H H 9.224 0.030 1 145 20 20 CYS CA C 59.974 0.300 1 146 20 20 CYS HA H 4.827 0.030 1 147 20 20 CYS CB C 30.335 0.300 1 148 20 20 CYS HB2 H 3.470 0.030 2 149 20 20 CYS HB3 H 3.056 0.030 2 150 20 20 CYS C C 178.043 0.300 1 151 21 21 LYS N N 132.598 0.300 1 152 21 21 LYS H H 9.473 0.030 1 153 21 21 LYS CA C 58.099 0.300 1 154 21 21 LYS HA H 4.104 0.030 1 155 21 21 LYS CB C 31.695 0.300 1 156 21 21 LYS HB2 H 1.623 0.030 1 157 21 21 LYS HB3 H 1.623 0.030 1 158 21 21 LYS CG C 23.188 0.300 1 159 21 21 LYS HG2 H 0.310 0.030 2 160 21 21 LYS HG3 H 1.136 0.030 2 161 21 21 LYS CD C 29.283 0.300 1 162 21 21 LYS HD2 H 1.408 0.030 1 163 21 21 LYS HD3 H 1.408 0.030 1 164 21 21 LYS CE C 41.940 0.300 1 165 21 21 LYS HE2 H 2.713 0.030 1 166 21 21 LYS HE3 H 2.713 0.030 1 167 21 21 LYS C C 175.765 0.300 1 168 22 22 PHE N N 121.000 0.300 1 169 22 22 PHE H H 9.158 0.030 1 170 22 22 PHE CA C 59.743 0.300 1 171 22 22 PHE HA H 4.394 0.030 1 172 22 22 PHE CB C 37.953 0.300 1 173 22 22 PHE HB2 H 2.404 0.030 2 174 22 22 PHE HB3 H 1.681 0.030 2 175 22 22 PHE CD1 C 132.108 0.300 1 176 22 22 PHE HD1 H 6.962 0.030 1 177 22 22 PHE CD2 C 132.108 0.300 1 178 22 22 PHE HD2 H 6.962 0.030 1 179 22 22 PHE CE1 C 131.362 0.300 1 180 22 22 PHE HE1 H 7.229 0.030 1 181 22 22 PHE CE2 C 131.362 0.300 1 182 22 22 PHE HE2 H 7.229 0.030 1 183 22 22 PHE CZ C 129.944 0.300 1 184 22 22 PHE HZ H 7.217 0.030 1 185 22 22 PHE C C 176.819 0.300 1 186 23 23 CYS N N 115.955 0.300 1 187 23 23 CYS H H 8.410 0.030 1 188 23 23 CYS CA C 58.486 0.300 1 189 23 23 CYS HA H 5.262 0.030 1 190 23 23 CYS CB C 33.092 0.300 1 191 23 23 CYS HB2 H 3.503 0.030 2 192 23 23 CYS HB3 H 2.910 0.030 2 193 23 23 CYS C C 176.770 0.300 1 194 24 24 GLY N N 112.575 0.300 1 195 24 24 GLY H H 8.092 0.030 1 196 24 24 GLY CA C 46.302 0.300 1 197 24 24 GLY HA2 H 4.238 0.030 2 198 24 24 GLY HA3 H 3.776 0.030 2 199 24 24 GLY C C 173.621 0.300 1 200 25 25 ARG N N 122.678 0.300 1 201 25 25 ARG H H 8.079 0.030 1 202 25 25 ARG CA C 58.063 0.300 1 203 25 25 ARG HA H 4.096 0.030 1 204 25 25 ARG CB C 31.628 0.300 1 205 25 25 ARG HB2 H 1.606 0.030 2 206 25 25 ARG HB3 H 1.329 0.030 2 207 25 25 ARG CG C 27.667 0.300 1 208 25 25 ARG HG2 H 1.739 0.030 2 209 25 25 ARG HG3 H 1.208 0.030 2 210 25 25 ARG CD C 43.643 0.300 1 211 25 25 ARG HD2 H 2.666 0.030 2 212 25 25 ARG HD3 H 2.984 0.030 2 213 25 25 ARG C C 174.641 0.300 1 214 26 26 HIS N N 121.510 0.300 1 215 26 26 HIS H H 8.454 0.030 1 216 26 26 HIS CA C 55.553 0.300 1 217 26 26 HIS HA H 5.166 0.030 1 218 26 26 HIS CB C 32.066 0.300 1 219 26 26 HIS HB2 H 2.962 0.030 2 220 26 26 HIS HB3 H 2.901 0.030 2 221 26 26 HIS CD2 C 120.105 0.300 1 222 26 26 HIS HD2 H 7.302 0.030 1 223 26 26 HIS CE1 C 137.118 0.300 1 224 26 26 HIS HE1 H 7.938 0.030 1 225 26 26 HIS C C 174.732 0.300 1 226 27 27 PHE N N 119.065 0.300 1 227 27 27 PHE H H 9.035 0.030 1 228 27 27 PHE CA C 57.515 0.300 1 229 27 27 PHE HA H 4.724 0.030 1 230 27 27 PHE CB C 43.276 0.300 1 231 27 27 PHE HB2 H 2.655 0.030 2 232 27 27 PHE HB3 H 3.356 0.030 2 233 27 27 PHE CD1 C 132.343 0.300 1 234 27 27 PHE HD1 H 7.279 0.030 1 235 27 27 PHE CD2 C 132.343 0.300 1 236 27 27 PHE HD2 H 7.279 0.030 1 237 27 27 PHE CE1 C 130.592 0.300 1 238 27 27 PHE HE1 H 6.851 0.030 1 239 27 27 PHE CE2 C 130.592 0.300 1 240 27 27 PHE HE2 H 6.851 0.030 1 241 27 27 PHE CZ C 128.542 0.300 1 242 27 27 PHE HZ H 6.099 0.030 1 243 27 27 PHE C C 175.205 0.300 1 244 28 28 THR CA C 62.856 0.300 1 245 28 28 THR HA H 4.691 0.030 1 246 28 28 THR CB C 69.897 0.300 1 247 28 28 THR HB H 4.498 0.030 1 248 28 28 THR CG2 C 22.346 0.300 1 249 28 28 THR HG2 H 1.339 0.030 1 250 28 28 THR C C 174.714 0.300 1 251 29 29 LYS N N 118.993 0.300 1 252 29 29 LYS H H 7.456 0.030 1 253 29 29 LYS CA C 54.239 0.300 1 254 29 29 LYS HA H 4.573 0.030 1 255 29 29 LYS CB C 35.412 0.300 1 256 29 29 LYS HB2 H 1.706 0.030 1 257 29 29 LYS HB3 H 1.706 0.030 1 258 29 29 LYS CG C 24.642 0.300 1 259 29 29 LYS HG2 H 1.469 0.030 1 260 29 29 LYS HG3 H 1.469 0.030 1 261 29 29 LYS CD C 29.071 0.300 1 262 29 29 LYS HD2 H 1.683 0.030 2 263 29 29 LYS HD3 H 1.769 0.030 2 264 29 29 LYS CE C 42.301 0.300 1 265 29 29 LYS HE2 H 3.013 0.030 1 266 29 29 LYS HE3 H 3.013 0.030 1 267 29 29 LYS C C 176.395 0.300 1 268 30 30 SER CA C 60.921 0.300 1 269 30 30 SER HA H 3.025 0.030 1 270 30 30 SER CB C 61.703 0.300 1 271 30 30 SER HB2 H 3.499 0.030 2 272 30 30 SER HB3 H 3.306 0.030 2 273 31 31 TYR CA C 60.807 0.300 1 274 31 31 TYR HA H 4.101 0.030 1 275 31 31 TYR CB C 38.408 0.300 1 276 31 31 TYR HB2 H 3.175 0.030 2 277 31 31 TYR HB3 H 2.591 0.030 2 278 31 31 TYR CD1 C 133.282 0.300 1 279 31 31 TYR HD1 H 7.006 0.030 1 280 31 31 TYR CD2 C 133.282 0.300 1 281 31 31 TYR HD2 H 7.006 0.030 1 282 31 31 TYR CE1 C 118.322 0.300 1 283 31 31 TYR HE1 H 6.752 0.030 1 284 31 31 TYR CE2 C 118.322 0.300 1 285 31 31 TYR HE2 H 6.752 0.030 1 286 31 31 TYR C C 176.455 0.300 1 287 32 32 ASN N N 114.304 0.300 1 288 32 32 ASN H H 6.481 0.030 1 289 32 32 ASN CA C 55.198 0.300 1 290 32 32 ASN HA H 4.283 0.030 1 291 32 32 ASN CB C 37.912 0.300 1 292 32 32 ASN HB2 H 2.856 0.030 1 293 32 32 ASN HB3 H 2.856 0.030 1 294 32 32 ASN ND2 N 112.830 0.300 1 295 32 32 ASN HD21 H 8.027 0.030 2 296 32 32 ASN HD22 H 7.237 0.030 2 297 32 32 ASN C C 177.633 0.300 1 298 33 33 LEU N N 121.854 0.300 1 299 33 33 LEU H H 7.002 0.030 1 300 33 33 LEU CA C 57.820 0.300 1 301 33 33 LEU HA H 2.922 0.030 1 302 33 33 LEU CB C 40.350 0.300 1 303 33 33 LEU HB2 H 1.884 0.030 2 304 33 33 LEU HB3 H 1.071 0.030 2 305 33 33 LEU CG C 27.361 0.300 1 306 33 33 LEU HG H 1.445 0.030 1 307 33 33 LEU CD1 C 22.999 0.300 2 308 33 33 LEU HD1 H 0.964 0.030 1 309 33 33 LEU CD2 C 26.253 0.300 2 310 33 33 LEU HD2 H 0.992 0.030 1 311 33 33 LEU C C 176.900 0.300 1 312 34 34 LEU N N 120.140 0.300 1 313 34 34 LEU H H 7.795 0.030 1 314 34 34 LEU CA C 58.506 0.300 1 315 34 34 LEU HA H 3.933 0.030 1 316 34 34 LEU CB C 41.523 0.300 1 317 34 34 LEU HB2 H 1.556 0.030 2 318 34 34 LEU HB3 H 1.614 0.030 2 319 34 34 LEU CG C 26.917 0.300 1 320 34 34 LEU HG H 1.544 0.030 1 321 34 34 LEU CD1 C 24.817 0.300 2 322 34 34 LEU HD1 H 0.836 0.030 1 323 34 34 LEU CD2 C 23.929 0.300 2 324 34 34 LEU HD2 H 0.797 0.030 1 325 34 34 LEU C C 179.914 0.300 1 326 35 35 ILE N N 116.693 0.300 1 327 35 35 ILE H H 7.368 0.030 1 328 35 35 ILE CA C 63.641 0.300 1 329 35 35 ILE HA H 3.533 0.030 1 330 35 35 ILE CB C 37.380 0.300 1 331 35 35 ILE HB H 1.661 0.030 1 332 35 35 ILE CG1 C 27.681 0.300 1 333 35 35 ILE HG12 H 0.990 0.030 2 334 35 35 ILE HG13 H 1.230 0.030 2 335 35 35 ILE CG2 C 17.311 0.300 1 336 35 35 ILE HG2 H 0.760 0.030 1 337 35 35 ILE CD1 C 11.499 0.300 1 338 35 35 ILE HD1 H 0.607 0.030 1 339 35 35 ILE C C 178.700 0.300 1 340 36 36 HIS N N 119.039 0.300 1 341 36 36 HIS H H 7.424 0.030 1 342 36 36 HIS CA C 59.486 0.300 1 343 36 36 HIS HA H 4.282 0.030 1 344 36 36 HIS CB C 28.563 0.300 1 345 36 36 HIS HB2 H 2.960 0.030 1 346 36 36 HIS HB3 H 2.960 0.030 1 347 36 36 HIS CD2 C 128.243 0.300 1 348 36 36 HIS HD2 H 7.196 0.030 1 349 36 36 HIS CE1 C 139.561 0.300 1 350 36 36 HIS HE1 H 8.028 0.030 1 351 36 36 HIS C C 178.907 0.300 1 352 37 37 GLU N N 122.627 0.300 1 353 37 37 GLU H H 9.459 0.030 1 354 37 37 GLU CA C 61.473 0.300 1 355 37 37 GLU HA H 3.922 0.030 1 356 37 37 GLU CB C 30.028 0.300 1 357 37 37 GLU HB2 H 2.296 0.030 2 358 37 37 GLU HB3 H 2.220 0.030 2 359 37 37 GLU CG C 38.908 0.300 1 360 37 37 GLU HG2 H 2.884 0.030 2 361 37 37 GLU HG3 H 3.042 0.030 2 362 37 37 GLU C C 178.840 0.300 1 363 38 38 ARG N N 116.143 0.300 1 364 38 38 ARG H H 7.244 0.030 1 365 38 38 ARG CA C 58.258 0.300 1 366 38 38 ARG HA H 4.129 0.030 1 367 38 38 ARG CB C 30.054 0.300 1 368 38 38 ARG HB2 H 1.823 0.030 2 369 38 38 ARG HB3 H 1.914 0.030 2 370 38 38 ARG CG C 27.439 0.300 1 371 38 38 ARG HG2 H 1.675 0.030 2 372 38 38 ARG HG3 H 1.847 0.030 2 373 38 38 ARG CD C 43.705 0.300 1 374 38 38 ARG HD2 H 3.105 0.030 1 375 38 38 ARG HD3 H 3.105 0.030 1 376 38 38 ARG C C 177.863 0.300 1 377 39 39 THR N N 109.313 0.300 1 378 39 39 THR H H 7.639 0.030 1 379 39 39 THR CA C 63.892 0.300 1 380 39 39 THR HA H 4.075 0.030 1 381 39 39 THR CB C 69.337 0.300 1 382 39 39 THR HB H 4.007 0.030 1 383 39 39 THR CG2 C 21.143 0.300 1 384 39 39 THR HG2 H 1.217 0.030 1 385 39 39 THR C C 175.843 0.300 1 386 40 40 HIS N N 119.019 0.300 1 387 40 40 HIS H H 7.046 0.030 1 388 40 40 HIS CA C 55.942 0.300 1 389 40 40 HIS HA H 4.410 0.030 1 390 40 40 HIS CB C 27.446 0.300 1 391 40 40 HIS HB2 H 2.349 0.030 2 392 40 40 HIS HB3 H 2.115 0.030 2 393 40 40 HIS CD2 C 128.477 0.300 1 394 40 40 HIS HD2 H 6.591 0.030 1 395 40 40 HIS CE1 C 140.077 0.300 1 396 40 40 HIS HE1 H 8.033 0.030 1 397 40 40 HIS C C 175.528 0.300 1 398 41 41 THR N N 111.847 0.300 1 399 41 41 THR H H 7.579 0.030 1 400 41 41 THR CA C 62.200 0.300 1 401 41 41 THR HA H 4.152 0.030 1 402 41 41 THR CB C 69.440 0.300 1 403 41 41 THR HB H 4.253 0.030 1 404 41 41 THR CG2 C 21.644 0.300 1 405 41 41 THR HG2 H 1.084 0.030 1 406 41 41 THR C C 174.484 0.300 1 407 42 42 ASP N N 122.207 0.300 1 408 42 42 ASP H H 8.191 0.030 1 409 42 42 ASP CA C 54.373 0.300 1 410 42 42 ASP HA H 4.524 0.030 1 411 42 42 ASP CB C 41.045 0.300 1 412 42 42 ASP HB2 H 2.601 0.030 2 413 42 42 ASP HB3 H 2.503 0.030 2 414 42 42 ASP C C 175.869 0.300 1 415 43 43 GLU N N 120.562 0.300 1 416 43 43 GLU H H 8.064 0.030 1 417 43 43 GLU CA C 57.378 0.300 1 418 43 43 GLU HA H 4.098 0.030 1 419 43 43 GLU CB C 30.262 0.300 1 420 43 43 GLU HB2 H 1.941 0.030 1 421 43 43 GLU HB3 H 1.941 0.030 1 422 43 43 GLU CG C 36.147 0.300 1 423 43 43 GLU HG2 H 2.191 0.030 2 424 43 43 GLU HG3 H 2.246 0.030 2 425 43 43 GLU C C 176.313 0.300 1 426 44 44 ARG N N 120.015 0.300 1 427 44 44 ARG H H 8.190 0.030 1 428 44 44 ARG CA C 53.266 0.300 1 429 44 44 ARG HA H 4.533 0.030 1 430 44 44 ARG CB C 30.702 0.300 1 431 44 44 ARG HB2 H 1.568 0.030 2 432 44 44 ARG HB3 H 1.350 0.030 2 433 44 44 ARG CG C 27.202 0.300 1 434 44 44 ARG HG2 H 1.301 0.030 2 435 44 44 ARG HG3 H 1.464 0.030 2 436 44 44 ARG CD C 43.563 0.300 1 437 44 44 ARG HD2 H 2.989 0.030 1 438 44 44 ARG HD3 H 2.989 0.030 1 439 44 44 ARG C C 173.360 0.300 1 440 45 45 PRO CA C 63.459 0.300 1 441 45 45 PRO HA H 4.298 0.030 1 442 45 45 PRO CB C 32.219 0.300 1 443 45 45 PRO HB2 H 1.929 0.030 2 444 45 45 PRO HB3 H 1.225 0.030 2 445 45 45 PRO CG C 26.426 0.300 1 446 45 45 PRO HG2 H 1.777 0.030 2 447 45 45 PRO HG3 H 1.531 0.030 2 448 45 45 PRO CD C 49.906 0.300 1 449 45 45 PRO HD2 H 3.632 0.030 2 450 45 45 PRO HD3 H 3.563 0.030 2 451 45 45 PRO C C 176.492 0.300 1 452 46 46 TYR N N 119.184 0.300 1 453 46 46 TYR H H 7.840 0.030 1 454 46 46 TYR CA C 57.533 0.300 1 455 46 46 TYR HA H 4.757 0.030 1 456 46 46 TYR CB C 38.646 0.300 1 457 46 46 TYR HB2 H 2.994 0.030 2 458 46 46 TYR HB3 H 2.755 0.030 2 459 46 46 TYR CD1 C 133.184 0.300 1 460 46 46 TYR HD1 H 6.976 0.030 1 461 46 46 TYR CD2 C 133.184 0.300 1 462 46 46 TYR HD2 H 6.976 0.030 1 463 46 46 TYR CE1 C 118.504 0.300 1 464 46 46 TYR HE1 H 6.774 0.030 1 465 46 46 TYR CE2 C 118.504 0.300 1 466 46 46 TYR HE2 H 6.774 0.030 1 467 46 46 TYR C C 175.414 0.300 1 468 47 47 THR N N 117.631 0.300 1 469 47 47 THR H H 8.607 0.030 1 470 47 47 THR CA C 60.593 0.300 1 471 47 47 THR HA H 5.130 0.030 1 472 47 47 THR CB C 71.076 0.300 1 473 47 47 THR HB H 3.864 0.030 1 474 47 47 THR CG2 C 21.699 0.300 1 475 47 47 THR HG2 H 1.031 0.030 1 476 47 47 THR C C 173.697 0.300 1 477 48 48 CYS N N 127.009 0.300 1 478 48 48 CYS H H 9.072 0.030 1 479 48 48 CYS CA C 60.153 0.300 1 480 48 48 CYS HA H 4.422 0.030 1 481 48 48 CYS CB C 29.832 0.300 1 482 48 48 CYS HB2 H 3.319 0.030 2 483 48 48 CYS HB3 H 2.824 0.030 2 484 48 48 CYS C C 176.023 0.300 1 485 49 49 ASP N N 129.691 0.300 1 486 49 49 ASP H H 9.129 0.030 1 487 49 49 ASP CA C 55.499 0.300 1 488 49 49 ASP HA H 4.353 0.030 1 489 49 49 ASP CB C 39.656 0.300 1 490 49 49 ASP HB2 H 2.790 0.030 1 491 49 49 ASP HB3 H 2.790 0.030 1 492 49 49 ASP C C 175.094 0.300 1 493 50 50 ILE N N 121.649 0.300 1 494 50 50 ILE H H 8.661 0.030 1 495 50 50 ILE CA C 62.888 0.300 1 496 50 50 ILE HA H 3.837 0.030 1 497 50 50 ILE CB C 38.652 0.300 1 498 50 50 ILE HB H 1.023 0.030 1 499 50 50 ILE CG1 C 27.770 0.300 1 500 50 50 ILE HG12 H 1.367 0.030 2 501 50 50 ILE HG13 H 0.956 0.030 2 502 50 50 ILE CG2 C 16.106 0.300 1 503 50 50 ILE HG2 H 0.206 0.030 1 504 50 50 ILE CD1 C 12.254 0.300 1 505 50 50 ILE HD1 H 0.602 0.030 1 506 50 50 ILE C C 176.439 0.300 1 507 51 51 CYS N N 116.341 0.300 1 508 51 51 CYS H H 7.973 0.030 1 509 51 51 CYS CA C 58.192 0.300 1 510 51 51 CYS HA H 4.922 0.030 1 511 51 51 CYS CB C 32.086 0.300 1 512 51 51 CYS HB2 H 3.410 0.030 2 513 51 51 CYS HB3 H 2.722 0.030 2 514 51 51 CYS C C 175.814 0.300 1 515 52 52 HIS N N 116.961 0.300 1 516 52 52 HIS H H 7.714 0.030 1 517 52 52 HIS CA C 58.187 0.300 1 518 52 52 HIS HA H 4.521 0.030 1 519 52 52 HIS CB C 27.079 0.300 1 520 52 52 HIS HB2 H 3.467 0.030 2 521 52 52 HIS HB3 H 3.296 0.030 2 522 52 52 HIS CD2 C 119.293 0.300 1 523 52 52 HIS HD2 H 6.915 0.030 1 524 52 52 HIS CE1 C 137.626 0.300 1 525 52 52 HIS HE1 H 7.943 0.030 1 526 52 52 HIS C C 174.215 0.300 1 527 53 53 LYS N N 122.651 0.300 1 528 53 53 LYS H H 7.902 0.030 1 529 53 53 LYS CA C 58.205 0.300 1 530 53 53 LYS HA H 4.051 0.030 1 531 53 53 LYS CB C 33.868 0.300 1 532 53 53 LYS HB2 H 1.483 0.030 2 533 53 53 LYS HB3 H 1.218 0.030 2 534 53 53 LYS CG C 26.279 0.300 1 535 53 53 LYS HG2 H 1.043 0.030 2 536 53 53 LYS HG3 H 1.427 0.030 2 537 53 53 LYS CD C 29.346 0.300 1 538 53 53 LYS HD2 H 1.434 0.030 2 539 53 53 LYS HD3 H 1.532 0.030 2 540 53 53 LYS CE C 42.122 0.300 1 541 53 53 LYS HE2 H 2.939 0.030 1 542 53 53 LYS HE3 H 2.939 0.030 1 543 53 53 LYS C C 173.816 0.300 1 544 54 54 ALA N N 124.589 0.300 1 545 54 54 ALA H H 7.885 0.030 1 546 54 54 ALA CA C 50.573 0.300 1 547 54 54 ALA HA H 5.098 0.030 1 548 54 54 ALA CB C 22.290 0.300 1 549 54 54 ALA HB H 1.230 0.030 1 550 54 54 ALA C C 176.763 0.300 1 551 55 55 PHE N N 117.946 0.300 1 552 55 55 PHE H H 9.044 0.030 1 553 55 55 PHE CA C 57.320 0.300 1 554 55 55 PHE HA H 4.724 0.030 1 555 55 55 PHE CB C 43.710 0.300 1 556 55 55 PHE HB2 H 3.474 0.030 2 557 55 55 PHE HB3 H 2.782 0.030 2 558 55 55 PHE CD1 C 132.342 0.300 1 559 55 55 PHE HD1 H 7.280 0.030 1 560 55 55 PHE CD2 C 132.342 0.300 1 561 55 55 PHE HD2 H 7.280 0.030 1 562 55 55 PHE CE1 C 130.666 0.300 1 563 55 55 PHE HE1 H 6.796 0.030 1 564 55 55 PHE CE2 C 130.666 0.300 1 565 55 55 PHE HE2 H 6.796 0.030 1 566 55 55 PHE CZ C 128.659 0.300 1 567 55 55 PHE HZ H 6.133 0.030 1 568 55 55 PHE C C 175.251 0.300 1 569 56 56 ARG N N 119.843 0.300 1 570 56 56 ARG H H 9.587 0.030 1 571 56 56 ARG CA C 58.117 0.300 1 572 56 56 ARG HA H 4.603 0.030 1 573 56 56 ARG CB C 31.741 0.300 1 574 56 56 ARG HB2 H 1.977 0.030 2 575 56 56 ARG HB3 H 2.104 0.030 2 576 56 56 ARG CG C 28.206 0.300 1 577 56 56 ARG HG2 H 1.841 0.030 1 578 56 56 ARG HG3 H 1.841 0.030 1 579 56 56 ARG CD C 43.500 0.300 1 580 56 56 ARG HD2 H 3.310 0.030 1 581 56 56 ARG HD3 H 3.310 0.030 1 582 56 56 ARG C C 176.201 0.300 1 583 57 57 ARG N N 113.134 0.300 1 584 57 57 ARG H H 7.273 0.030 1 585 57 57 ARG CA C 53.978 0.300 1 586 57 57 ARG HA H 4.650 0.030 1 587 57 57 ARG CB C 34.701 0.300 1 588 57 57 ARG HB2 H 1.903 0.030 2 589 57 57 ARG HB3 H 0.788 0.030 2 590 57 57 ARG CG C 27.023 0.300 1 591 57 57 ARG HG2 H 1.338 0.030 2 592 57 57 ARG HG3 H 1.499 0.030 2 593 57 57 ARG CD C 43.412 0.300 1 594 57 57 ARG HD2 H 2.751 0.030 2 595 57 57 ARG HD3 H 3.156 0.030 2 596 57 57 ARG C C 176.296 0.300 1 597 58 58 GLN N N 124.070 0.300 1 598 58 58 GLN H H 8.583 0.030 1 599 58 58 GLN CA C 59.036 0.300 1 600 58 58 GLN HA H 3.004 0.030 1 601 58 58 GLN CB C 28.229 0.300 1 602 58 58 GLN HB2 H 1.674 0.030 2 603 58 58 GLN HB3 H 1.420 0.030 2 604 58 58 GLN CG C 33.797 0.300 1 605 58 58 GLN HG2 H 1.900 0.030 1 606 58 58 GLN HG3 H 1.900 0.030 1 607 58 58 GLN NE2 N 111.526 0.300 1 608 58 58 GLN HE21 H 7.314 0.030 2 609 58 58 GLN HE22 H 6.847 0.030 2 610 58 58 GLN C C 177.925 0.300 1 611 59 59 ASP CA C 56.406 0.300 1 612 59 59 ASP HA H 4.046 0.030 1 613 59 59 ASP CB C 38.248 0.300 1 614 59 59 ASP HB2 H 2.663 0.030 2 615 59 59 ASP HB3 H 2.535 0.030 2 616 59 59 ASP C C 177.698 0.300 1 617 60 60 HIS N N 119.173 0.300 1 618 60 60 HIS H H 6.954 0.030 1 619 60 60 HIS CA C 56.843 0.300 1 620 60 60 HIS HA H 4.432 0.030 1 621 60 60 HIS CB C 31.752 0.300 1 622 60 60 HIS HB2 H 3.176 0.030 2 623 60 60 HIS HB3 H 3.317 0.030 2 624 60 60 HIS CD2 C 116.927 0.300 1 625 60 60 HIS HD2 H 6.946 0.030 1 626 60 60 HIS CE1 C 138.806 0.300 1 627 60 60 HIS HE1 H 7.810 0.030 1 628 60 60 HIS C C 178.617 0.300 1 629 61 61 LEU N N 120.844 0.300 1 630 61 61 LEU H H 6.979 0.030 1 631 61 61 LEU CA C 57.728 0.300 1 632 61 61 LEU HA H 3.145 0.030 1 633 61 61 LEU CB C 40.153 0.300 1 634 61 61 LEU HB2 H 1.847 0.030 2 635 61 61 LEU HB3 H 1.203 0.030 2 636 61 61 LEU CG C 27.171 0.300 1 637 61 61 LEU HG H 1.505 0.030 1 638 61 61 LEU CD1 C 22.545 0.300 2 639 61 61 LEU HD1 H 0.957 0.030 1 640 61 61 LEU CD2 C 26.718 0.300 2 641 61 61 LEU HD2 H 1.003 0.030 1 642 61 61 LEU C C 176.855 0.300 1 643 62 62 ARG N N 120.225 0.300 1 644 62 62 ARG H H 8.012 0.030 1 645 62 62 ARG CA C 59.526 0.300 1 646 62 62 ARG HA H 3.724 0.030 1 647 62 62 ARG CB C 29.388 0.300 1 648 62 62 ARG HB2 H 1.807 0.030 2 649 62 62 ARG HB3 H 1.933 0.030 2 650 62 62 ARG CG C 26.543 0.300 1 651 62 62 ARG HG2 H 1.340 0.030 2 652 62 62 ARG HG3 H 1.703 0.030 2 653 62 62 ARG CD C 43.306 0.300 1 654 62 62 ARG HD2 H 3.162 0.030 1 655 62 62 ARG HD3 H 3.162 0.030 1 656 62 62 ARG C C 178.582 0.300 1 657 63 63 ASP N N 117.219 0.300 1 658 63 63 ASP H H 7.823 0.030 1 659 63 63 ASP CA C 56.694 0.300 1 660 63 63 ASP HA H 4.401 0.030 1 661 63 63 ASP CB C 40.226 0.300 1 662 63 63 ASP HB2 H 2.582 0.030 2 663 63 63 ASP HB3 H 2.640 0.030 2 664 63 63 ASP C C 178.560 0.300 1 665 64 64 HIS N N 119.185 0.300 1 666 64 64 HIS H H 7.606 0.030 1 667 64 64 HIS CA C 58.772 0.300 1 668 64 64 HIS HA H 4.211 0.030 1 669 64 64 HIS CB C 28.533 0.300 1 670 64 64 HIS HB2 H 3.111 0.030 2 671 64 64 HIS HB3 H 2.849 0.030 2 672 64 64 HIS CD2 C 127.017 0.300 1 673 64 64 HIS HD2 H 6.831 0.030 1 674 64 64 HIS CE1 C 139.548 0.300 1 675 64 64 HIS HE1 H 7.997 0.030 1 676 64 64 HIS C C 176.334 0.300 1 677 65 65 ARG N N 116.490 0.300 1 678 65 65 ARG H H 8.157 0.030 1 679 65 65 ARG CA C 59.666 0.300 1 680 65 65 ARG HA H 3.576 0.030 1 681 65 65 ARG CB C 29.958 0.300 1 682 65 65 ARG HB2 H 1.853 0.030 1 683 65 65 ARG HB3 H 1.853 0.030 1 684 65 65 ARG CG C 29.007 0.300 1 685 65 65 ARG HG2 H 1.985 0.030 1 686 65 65 ARG HG3 H 1.985 0.030 1 687 65 65 ARG CD C 43.524 0.300 1 688 65 65 ARG HD2 H 3.233 0.030 2 689 65 65 ARG HD3 H 3.273 0.030 2 690 65 65 ARG C C 178.301 0.300 1 691 66 66 TYR N N 117.286 0.300 1 692 66 66 TYR H H 7.169 0.030 1 693 66 66 TYR CA C 60.186 0.300 1 694 66 66 TYR HA H 4.339 0.030 1 695 66 66 TYR CB C 37.960 0.300 1 696 66 66 TYR HB2 H 2.948 0.030 2 697 66 66 TYR HB3 H 3.108 0.030 2 698 66 66 TYR CD1 C 133.078 0.300 1 699 66 66 TYR HD1 H 7.230 0.030 1 700 66 66 TYR CD2 C 133.078 0.300 1 701 66 66 TYR HD2 H 7.230 0.030 1 702 66 66 TYR CE1 C 118.325 0.300 1 703 66 66 TYR HE1 H 6.785 0.030 1 704 66 66 TYR CE2 C 118.325 0.300 1 705 66 66 TYR HE2 H 6.785 0.030 1 706 66 66 TYR C C 178.191 0.300 1 707 67 67 ILE N N 117.609 0.300 1 708 67 67 ILE H H 7.883 0.030 1 709 67 67 ILE CA C 63.440 0.300 1 710 67 67 ILE HA H 3.836 0.030 1 711 67 67 ILE CB C 37.482 0.300 1 712 67 67 ILE HB H 1.671 0.030 1 713 67 67 ILE CG1 C 27.105 0.300 1 714 67 67 ILE HG12 H 0.850 0.030 2 715 67 67 ILE HG13 H 0.969 0.030 2 716 67 67 ILE CG2 C 16.521 0.300 1 717 67 67 ILE HG2 H 0.500 0.030 1 718 67 67 ILE CD1 C 14.179 0.300 1 719 67 67 ILE HD1 H 0.707 0.030 1 720 67 67 ILE C C 177.511 0.300 1 721 68 68 HIS N N 116.764 0.300 1 722 68 68 HIS H H 7.140 0.030 1 723 68 68 HIS CA C 55.340 0.300 1 724 68 68 HIS HA H 4.768 0.030 1 725 68 68 HIS CB C 28.687 0.300 1 726 68 68 HIS HB2 H 3.323 0.030 2 727 68 68 HIS HB3 H 3.092 0.030 2 728 68 68 HIS CD2 C 127.989 0.300 1 729 68 68 HIS HD2 H 6.632 0.030 1 730 68 68 HIS CE1 C 140.458 0.300 1 731 68 68 HIS HE1 H 8.073 0.030 1 732 68 68 HIS C C 175.627 0.300 1 733 69 69 SER N N 114.870 0.300 1 734 69 69 SER H H 7.731 0.030 1 735 69 69 SER CA C 59.200 0.300 1 736 69 69 SER HA H 4.379 0.030 1 737 69 69 SER CB C 63.765 0.300 1 738 69 69 SER HB2 H 3.921 0.030 1 739 69 69 SER HB3 H 3.921 0.030 1 740 69 69 SER C C 174.692 0.300 1 741 70 70 LYS N N 121.978 0.300 1 742 70 70 LYS H H 8.063 0.030 1 743 70 70 LYS CA C 56.825 0.300 1 744 70 70 LYS HA H 4.214 0.030 1 745 70 70 LYS CB C 32.539 0.300 1 746 70 70 LYS HB2 H 1.825 0.030 2 747 70 70 LYS HB3 H 1.729 0.030 2 748 70 70 LYS CG C 24.705 0.300 1 749 70 70 LYS HG2 H 1.388 0.030 1 750 70 70 LYS HG3 H 1.388 0.030 1 751 70 70 LYS CD C 28.851 0.300 1 752 70 70 LYS HD2 H 1.644 0.030 1 753 70 70 LYS HD3 H 1.644 0.030 1 754 70 70 LYS CE C 42.287 0.300 1 755 70 70 LYS HE2 H 2.950 0.030 1 756 70 70 LYS HE3 H 2.950 0.030 1 757 70 70 LYS C C 176.806 0.300 1 758 71 71 GLU N N 120.177 0.300 1 759 71 71 GLU H H 8.008 0.030 1 760 71 71 GLU CA C 56.472 0.300 1 761 71 71 GLU HA H 4.191 0.030 1 762 71 71 GLU CB C 29.335 0.300 1 763 71 71 GLU HB2 H 1.930 0.030 2 764 71 71 GLU CG C 36.399 0.300 1 765 71 71 GLU HG2 H 2.194 0.030 2 766 71 71 GLU HG3 H 2.242 0.030 2 767 71 71 GLU C C 176.040 0.300 1 768 72 72 LYS N N 121.800 0.300 1 769 72 72 LYS H H 8.277 0.030 1 770 72 72 LYS CA C 53.820 0.300 1 771 72 72 LYS HA H 4.391 0.030 1 772 72 72 LYS CB C 32.139 0.300 1 773 72 72 LYS HB2 H 1.536 0.030 2 774 72 72 LYS HB3 H 1.451 0.030 2 775 72 72 LYS CG C 25.126 0.300 1 776 72 72 LYS HG2 H 1.224 0.030 2 777 72 72 LYS HG3 H 1.254 0.030 2 778 72 72 LYS CD C 29.353 0.300 1 779 72 72 LYS HD2 H 1.341 0.030 2 780 72 72 LYS HD3 H 1.462 0.030 2 781 72 72 LYS CE C 42.195 0.300 1 782 72 72 LYS HE2 H 2.895 0.030 1 783 72 72 LYS HE3 H 2.895 0.030 1 784 72 72 LYS C C 174.768 0.300 1 785 73 73 PRO CA C 63.978 0.300 1 786 73 73 PRO HA H 4.144 0.030 1 787 73 73 PRO CB C 31.953 0.300 1 788 73 73 PRO HB2 H 1.941 0.030 2 789 73 73 PRO HB3 H 1.188 0.030 2 790 73 73 PRO CG C 26.708 0.300 1 791 73 73 PRO HG2 H 1.705 0.030 2 792 73 73 PRO HG3 H 1.792 0.030 2 793 73 73 PRO CD C 50.566 0.300 1 794 73 73 PRO HD2 H 3.676 0.030 2 795 73 73 PRO HD3 H 3.565 0.030 2 796 73 73 PRO C C 176.402 0.300 1 797 74 74 PHE N N 117.425 0.300 1 798 74 74 PHE H H 7.686 0.030 1 799 74 74 PHE CA C 57.020 0.300 1 800 74 74 PHE HA H 4.691 0.030 1 801 74 74 PHE CB C 39.403 0.300 1 802 74 74 PHE HB2 H 2.967 0.030 2 803 74 74 PHE HB3 H 2.775 0.030 2 804 74 74 PHE CD1 C 131.552 0.300 1 805 74 74 PHE HD1 H 7.044 0.030 1 806 74 74 PHE CD2 C 131.552 0.300 1 807 74 74 PHE HD2 H 7.044 0.030 1 808 74 74 PHE CE1 C 130.123 0.300 1 809 74 74 PHE HE1 H 7.326 0.030 1 810 74 74 PHE CE2 C 130.123 0.300 1 811 74 74 PHE HE2 H 7.326 0.030 1 812 74 74 PHE C C 174.442 0.300 1 813 75 75 LYS N N 123.931 0.300 1 814 75 75 LYS H H 8.590 0.030 1 815 75 75 LYS CA C 54.951 0.300 1 816 75 75 LYS HA H 5.021 0.030 1 817 75 75 LYS CB C 35.286 0.300 1 818 75 75 LYS HB2 H 1.541 0.030 2 819 75 75 LYS HB3 H 1.614 0.030 2 820 75 75 LYS CG C 24.648 0.300 1 821 75 75 LYS HG2 H 1.116 0.030 2 822 75 75 LYS HG3 H 1.180 0.030 2 823 75 75 LYS CD C 29.126 0.300 1 824 75 75 LYS HD2 H 1.533 0.030 1 825 75 75 LYS HD3 H 1.533 0.030 1 826 75 75 LYS CE C 42.205 0.300 1 827 75 75 LYS HE2 H 2.890 0.030 1 828 75 75 LYS HE3 H 2.890 0.030 1 829 75 75 LYS C C 175.465 0.300 1 830 76 76 CYS N N 126.279 0.300 1 831 76 76 CYS H H 9.149 0.030 1 832 76 76 CYS CA C 59.553 0.300 1 833 76 76 CYS HA H 4.462 0.030 1 834 76 76 CYS CB C 29.772 0.300 1 835 76 76 CYS HB2 H 2.824 0.030 2 836 76 76 CYS HB3 H 3.376 0.030 2 837 76 76 CYS C C 177.367 0.300 1 838 77 77 GLN CA C 58.117 0.300 1 839 77 77 GLN HA H 4.130 0.030 1 840 77 77 GLN CB C 28.479 0.300 1 841 77 77 GLN HB2 H 2.192 0.030 2 842 77 77 GLN HB3 H 2.127 0.030 2 843 77 77 GLN CG C 33.959 0.300 1 844 77 77 GLN HG2 H 2.498 0.030 1 845 77 77 GLN HG3 H 2.498 0.030 1 846 77 77 GLN NE2 N 112.627 0.300 1 847 77 77 GLN HE21 H 6.929 0.030 2 848 77 77 GLN HE22 H 7.568 0.030 2 849 77 77 GLN C C 176.283 0.300 1 850 78 78 GLU N N 120.320 0.300 1 851 78 78 GLU H H 8.682 0.030 1 852 78 78 GLU CA C 58.540 0.300 1 853 78 78 GLU HA H 4.165 0.030 1 854 78 78 GLU CB C 29.469 0.300 1 855 78 78 GLU HB2 H 1.371 0.030 2 856 78 78 GLU HB3 H 1.432 0.030 2 857 78 78 GLU CG C 35.799 0.300 1 858 78 78 GLU HG2 H 1.891 0.030 2 859 78 78 GLU HG3 H 1.771 0.030 2 860 78 78 GLU C C 177.275 0.300 1 861 79 79 CYS N N 114.728 0.300 1 862 79 79 CYS H H 8.018 0.030 1 863 79 79 CYS CA C 58.271 0.300 1 864 79 79 CYS HA H 5.142 0.030 1 865 79 79 CYS CB C 32.339 0.300 1 866 79 79 CYS HB2 H 3.420 0.030 2 867 79 79 CYS HB3 H 2.826 0.030 2 868 79 79 CYS C C 176.280 0.300 1 869 80 80 GLY N N 113.675 0.300 1 870 80 80 GLY H H 8.133 0.030 1 871 80 80 GLY CA C 46.206 0.300 1 872 80 80 GLY HA2 H 4.213 0.030 2 873 80 80 GLY HA3 H 3.755 0.030 2 874 80 80 GLY C C 173.619 0.300 1 875 81 81 LYS N N 122.811 0.300 1 876 81 81 LYS H H 7.945 0.030 1 877 81 81 LYS CA C 58.211 0.300 1 878 81 81 LYS HA H 3.947 0.030 1 879 81 81 LYS CB C 33.921 0.300 1 880 81 81 LYS HB2 H 1.486 0.030 2 881 81 81 LYS HB3 H 1.256 0.030 2 882 81 81 LYS CG C 26.251 0.300 1 883 81 81 LYS HG2 H 1.059 0.030 2 884 81 81 LYS HG3 H 1.427 0.030 2 885 81 81 LYS CD C 29.428 0.300 1 886 81 81 LYS HD2 H 1.450 0.030 2 887 81 81 LYS HD3 H 1.546 0.030 2 888 81 81 LYS CE C 42.207 0.300 1 889 81 81 LYS HE2 H 2.950 0.030 2 890 81 81 LYS HE3 H 2.893 0.030 2 891 81 81 LYS C C 174.639 0.300 1 892 82 82 GLY N N 108.366 0.300 1 893 82 82 GLY H H 7.936 0.030 1 894 82 82 GLY CA C 44.048 0.300 1 895 82 82 GLY HA2 H 4.847 0.030 2 896 82 82 GLY HA3 H 3.291 0.030 2 897 82 82 GLY C C 172.166 0.300 1 898 83 83 PHE N N 117.822 0.300 1 899 83 83 PHE H H 8.697 0.030 1 900 83 83 PHE CA C 57.338 0.300 1 901 83 83 PHE HA H 4.755 0.030 1 902 83 83 PHE CB C 43.462 0.300 1 903 83 83 PHE HB2 H 3.433 0.030 2 904 83 83 PHE HB3 H 2.649 0.030 2 905 83 83 PHE CD1 C 132.571 0.300 1 906 83 83 PHE HD1 H 7.199 0.030 1 907 83 83 PHE CD2 C 132.571 0.300 1 908 83 83 PHE HD2 H 7.199 0.030 1 909 83 83 PHE CE1 C 130.558 0.300 1 910 83 83 PHE HE1 H 6.756 0.030 1 911 83 83 PHE CE2 C 130.558 0.300 1 912 83 83 PHE HE2 H 6.756 0.030 1 913 83 83 PHE CZ C 128.433 0.300 1 914 83 83 PHE HZ H 6.104 0.030 1 915 83 83 PHE C C 175.424 0.300 1 916 84 84 CYS CA C 60.706 0.300 1 917 84 84 CYS HA H 4.608 0.030 1 918 84 84 CYS CB C 28.990 0.300 1 919 84 84 CYS HB2 H 3.243 0.030 2 920 84 84 CYS HB3 H 3.073 0.030 2 921 84 84 CYS C C 174.163 0.300 1 922 85 85 GLN N N 114.620 0.300 1 923 85 85 GLN H H 7.326 0.030 1 924 85 85 GLN CA C 54.098 0.300 1 925 85 85 GLN HA H 4.648 0.030 1 926 85 85 GLN CB C 32.066 0.300 1 927 85 85 GLN HB2 H 2.044 0.030 2 928 85 85 GLN HB3 H 2.239 0.030 2 929 85 85 GLN CG C 33.832 0.300 1 930 85 85 GLN HG2 H 2.395 0.030 1 931 85 85 GLN HG3 H 2.395 0.030 1 932 85 85 GLN NE2 N 112.481 0.300 1 933 85 85 GLN HE21 H 6.925 0.030 2 934 85 85 GLN HE22 H 7.559 0.030 2 935 85 85 GLN C C 175.230 0.300 1 936 86 86 SER CA C 61.164 0.300 1 937 86 86 SER HA H 3.078 0.030 1 938 86 86 SER CB C 61.738 0.300 1 939 86 86 SER HB2 H 3.448 0.030 2 940 86 86 SER HB3 H 3.230 0.030 2 941 87 87 ARG CA C 58.886 0.300 1 942 87 87 ARG HA H 4.049 0.030 1 943 87 87 ARG CB C 29.519 0.300 1 944 87 87 ARG HB2 H 1.839 0.030 2 945 87 87 ARG HB3 H 1.684 0.030 2 946 87 87 ARG CG C 26.708 0.300 1 947 87 87 ARG HG2 H 1.550 0.030 1 948 87 87 ARG HG3 H 1.550 0.030 1 949 87 87 ARG CD C 43.126 0.300 1 950 87 87 ARG HD2 H 3.100 0.030 2 951 87 87 ARG HD3 H 3.147 0.030 2 952 87 87 ARG C C 177.520 0.300 1 953 88 88 THR N N 112.500 0.300 1 954 88 88 THR H H 6.796 0.030 1 955 88 88 THR CA C 64.598 0.300 1 956 88 88 THR HA H 3.844 0.030 1 957 88 88 THR CB C 67.809 0.300 1 958 88 88 THR HB H 4.165 0.030 1 959 88 88 THR CG2 C 24.318 0.300 1 960 88 88 THR HG2 H 1.297 0.030 1 961 88 88 THR C C 177.343 0.300 1 962 89 89 LEU N N 123.163 0.300 1 963 89 89 LEU H H 6.898 0.030 1 964 89 89 LEU CA C 57.692 0.300 1 965 89 89 LEU HA H 3.147 0.030 1 966 89 89 LEU CB C 40.133 0.300 1 967 89 89 LEU HB2 H 1.829 0.030 2 968 89 89 LEU HB3 H 1.208 0.030 2 969 89 89 LEU CG C 27.502 0.300 1 970 89 89 LEU HG H 1.504 0.030 1 971 89 89 LEU CD1 C 22.587 0.300 2 972 89 89 LEU HD1 H 0.953 0.030 1 973 89 89 LEU CD2 C 26.739 0.300 2 974 89 89 LEU HD2 H 1.003 0.030 1 975 89 89 LEU C C 176.886 0.300 1 976 90 90 ALA N N 120.747 0.300 1 977 90 90 ALA H H 7.837 0.030 1 978 90 90 ALA CA C 55.646 0.300 1 979 90 90 ALA HA H 3.914 0.030 1 980 90 90 ALA CB C 17.722 0.300 1 981 90 90 ALA HB H 1.418 0.030 1 982 90 90 ALA C C 180.692 0.300 1 983 91 91 VAL N N 117.181 0.300 1 984 91 91 VAL H H 7.475 0.030 1 985 91 91 VAL CA C 65.880 0.300 1 986 91 91 VAL HA H 3.662 0.030 1 987 91 91 VAL CB C 32.018 0.300 1 988 91 91 VAL HB H 1.945 0.030 1 989 91 91 VAL CG1 C 22.191 0.300 2 990 91 91 VAL HG1 H 1.010 0.030 1 991 91 91 VAL CG2 C 21.021 0.300 2 992 91 91 VAL HG2 H 0.893 0.030 1 993 91 91 VAL C C 178.708 0.300 1 994 92 92 HIS N N 121.501 0.300 1 995 92 92 HIS H H 7.625 0.030 1 996 92 92 HIS CA C 59.553 0.300 1 997 92 92 HIS HA H 4.095 0.030 1 998 92 92 HIS CB C 28.040 0.300 1 999 92 92 HIS HB2 H 3.140 0.030 2 1000 92 92 HIS HB3 H 2.759 0.030 2 1001 92 92 HIS CD2 C 127.296 0.300 1 1002 92 92 HIS HD2 H 6.906 0.030 1 1003 92 92 HIS CE1 C 139.171 0.300 1 1004 92 92 HIS HE1 H 7.996 0.030 1 1005 92 92 HIS C C 176.518 0.300 1 1006 93 93 LYS N N 116.162 0.300 1 1007 93 93 LYS H H 8.372 0.030 1 1008 93 93 LYS CA C 60.253 0.300 1 1009 93 93 LYS HA H 3.732 0.030 1 1010 93 93 LYS CB C 32.158 0.300 1 1011 93 93 LYS HB2 H 1.952 0.030 1 1012 93 93 LYS HB3 H 1.952 0.030 1 1013 93 93 LYS CG C 25.986 0.300 1 1014 93 93 LYS HG2 H 1.779 0.030 2 1015 93 93 LYS HG3 H 1.863 0.030 2 1016 93 93 LYS CD C 29.716 0.300 1 1017 93 93 LYS HD2 H 1.792 0.030 2 1018 93 93 LYS HD3 H 1.830 0.030 2 1019 93 93 LYS CE C 41.871 0.300 1 1020 93 93 LYS HE2 H 3.045 0.030 2 1021 93 93 LYS HE3 H 3.157 0.030 2 1022 93 93 LYS C C 179.211 0.300 1 1023 94 94 THR N N 111.607 0.300 1 1024 94 94 THR H H 7.434 0.030 1 1025 94 94 THR CA C 65.106 0.300 1 1026 94 94 THR HA H 4.034 0.030 1 1027 94 94 THR CB C 69.075 0.300 1 1028 94 94 THR HB H 4.237 0.030 1 1029 94 94 THR CG2 C 21.632 0.300 1 1030 94 94 THR HG2 H 1.334 0.030 1 1031 94 94 THR C C 176.406 0.300 1 1032 95 95 LEU N N 121.689 0.300 1 1033 95 95 LEU H H 7.725 0.030 1 1034 95 95 LEU CA C 56.680 0.300 1 1035 95 95 LEU HA H 4.020 0.030 1 1036 95 95 LEU CB C 41.186 0.300 1 1037 95 95 LEU HB2 H 1.319 0.030 2 1038 95 95 LEU HB3 H 1.162 0.030 2 1039 95 95 LEU CG C 26.832 0.300 1 1040 95 95 LEU HG H 1.543 0.030 1 1041 95 95 LEU CD1 C 24.939 0.300 2 1042 95 95 LEU HD1 H 0.767 0.030 1 1043 95 95 LEU CD2 C 23.106 0.300 2 1044 95 95 LEU HD2 H 0.716 0.030 1 1045 95 95 LEU C C 178.956 0.300 1 1046 96 96 HIS N N 114.750 0.300 1 1047 96 96 HIS H H 7.160 0.030 1 1048 96 96 HIS CA C 55.206 0.300 1 1049 96 96 HIS HA H 4.730 0.030 1 1050 96 96 HIS CB C 28.687 0.300 1 1051 96 96 HIS HB2 H 3.322 0.030 2 1052 96 96 HIS HB3 H 3.104 0.030 2 1053 96 96 HIS CD2 C 127.256 0.300 1 1054 96 96 HIS HD2 H 6.649 0.030 1 1055 96 96 HIS CE1 C 139.861 0.300 1 1056 96 96 HIS HE1 H 8.005 0.030 1 1057 96 96 HIS C C 175.230 0.300 1 1058 97 97 MET N N 118.984 0.300 1 1059 97 97 MET H H 7.626 0.030 1 1060 97 97 MET CA C 55.995 0.300 1 1061 97 97 MET HA H 4.424 0.030 1 1062 97 97 MET CB C 33.065 0.300 1 1063 97 97 MET HB2 H 2.160 0.030 2 1064 97 97 MET HB3 H 2.042 0.030 2 1065 97 97 MET CG C 31.926 0.300 1 1066 97 97 MET HG2 H 2.556 0.030 2 1067 97 97 MET HG3 H 2.622 0.030 2 1068 97 97 MET CE C 16.912 0.300 1 1069 97 97 MET HE H 2.070 0.030 1 1070 97 97 MET C C 176.174 0.300 1 1071 98 98 GLN N N 120.828 0.300 1 1072 98 98 GLN H H 8.271 0.030 1 1073 98 98 GLN CA C 55.951 0.300 1 1074 98 98 GLN HA H 4.382 0.030 1 1075 98 98 GLN CB C 29.364 0.300 1 1076 98 98 GLN HB2 H 2.131 0.030 2 1077 98 98 GLN HB3 H 2.014 0.030 2 1078 98 98 GLN CG C 33.826 0.300 1 1079 98 98 GLN HG2 H 2.388 0.030 1 1080 98 98 GLN HG3 H 2.388 0.030 1 1081 98 98 GLN NE2 N 112.457 0.300 1 1082 98 98 GLN HE21 H 6.840 0.030 2 1083 98 98 GLN HE22 H 7.491 0.030 2 1084 98 98 GLN C C 176.242 0.300 1 1085 99 99 THR N N 114.965 0.300 1 1086 99 99 THR H H 8.200 0.030 1 1087 99 99 THR CA C 61.773 0.300 1 1088 99 99 THR HA H 4.374 0.030 1 1089 99 99 THR CB C 69.654 0.300 1 1090 99 99 THR HB H 4.244 0.030 1 1091 99 99 THR CG2 C 21.524 0.300 1 1092 99 99 THR HG2 H 1.188 0.030 1 1093 99 99 THR C C 174.491 0.300 1 1094 100 100 SER N N 118.047 0.300 1 1095 100 100 SER H H 8.311 0.030 1 1096 100 100 SER CA C 58.240 0.300 1 1097 100 100 SER HA H 4.493 0.030 1 1098 100 100 SER CB C 63.843 0.300 1 1099 100 100 SER HB2 H 3.850 0.030 1 1100 100 100 SER HB3 H 3.850 0.030 1 1101 100 100 SER C C 174.152 0.300 1 1102 101 101 SER N N 118.812 0.300 1 1103 101 101 SER H H 8.358 0.030 1 1104 101 101 SER CA C 56.348 0.300 1 1105 101 101 SER HA H 4.773 0.030 1 1106 101 101 SER CB C 63.554 0.300 1 1107 101 101 SER HB2 H 3.849 0.030 1 1108 101 101 SER HB3 H 3.849 0.030 1 1109 101 101 SER C C 172.898 0.300 1 1110 102 102 PRO CA C 63.453 0.300 1 1111 102 102 PRO HA H 4.485 0.030 1 1112 102 102 PRO CB C 32.126 0.300 1 1113 102 102 PRO HB2 H 2.289 0.030 1 1114 102 102 PRO HB3 H 2.289 0.030 1 1115 102 102 PRO CG C 27.339 0.300 1 1116 102 102 PRO HG2 H 2.006 0.030 1 1117 102 102 PRO HG3 H 2.006 0.030 1 1118 102 102 PRO CD C 50.813 0.300 1 1119 102 102 PRO HD2 H 3.724 0.030 2 1120 102 102 PRO HD3 H 3.802 0.030 2 1121 102 102 PRO C C 177.181 0.300 1 1122 103 103 THR N N 114.257 0.300 1 1123 103 103 THR H H 8.188 0.030 1 1124 103 103 THR CA C 61.748 0.300 1 1125 103 103 THR HA H 4.273 0.030 1 1126 103 103 THR CB C 69.833 0.300 1 1127 103 103 THR HB H 4.245 0.030 1 1128 103 103 THR CG2 C 21.680 0.300 1 1129 103 103 THR HG2 H 1.180 0.030 1 1130 103 103 THR C C 174.258 0.300 1 1131 104 104 ALA N N 126.872 0.300 1 1132 104 104 ALA H H 8.240 0.030 1 1133 104 104 ALA CA C 52.369 0.300 1 1134 104 104 ALA HA H 4.316 0.030 1 1135 104 104 ALA CB C 19.417 0.300 1 1136 104 104 ALA HB H 1.380 0.030 1 1137 104 104 ALA C C 177.129 0.300 1 1138 105 105 ALA N N 124.353 0.300 1 1139 105 105 ALA H H 8.312 0.030 1 1140 105 105 ALA CA C 52.408 0.300 1 1141 105 105 ALA HA H 4.327 0.030 1 1142 105 105 ALA CB C 19.416 0.300 1 1143 105 105 ALA HB H 1.382 0.030 1 1144 105 105 ALA C C 176.902 0.300 1 1145 106 106 SER N N 120.856 0.300 1 1146 106 106 SER H H 7.898 0.030 1 1147 106 106 SER CA C 59.880 0.300 1 1148 106 106 SER HA H 4.218 0.030 1 1149 106 106 SER CB C 64.853 0.300 1 1150 106 106 SER HB2 H 3.817 0.030 1 1151 106 106 SER HB3 H 3.817 0.030 1 1152 106 106 SER C C 178.605 0.300 1 stop_ save_