data_18546 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the tandem zinc finger domain of fission yeast Stc1 ; _BMRB_accession_number 18546 _BMRB_flat_file_name bmr18546.str _Entry_type original _Submission_date 2012-06-22 _Accession_date 2012-06-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Solution structure of the tandem zinc finger domain of fission yeast Stc1' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 He Chao . . 2 Shi Yun Yu . 3 Bayne Elizabeth . . 4 Wu Hui Ji . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 565 "13C chemical shifts" 385 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-05-23 update BMRB 'update entry citation' 2013-05-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural analysis of Stc1 provides insights into the coupling of RNAi and chromatin modification.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23613586 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 He Chao . . 2 Pillai Sreerekha S. . 3 Taglini Francesca . . 4 Li Fudong . . 5 Ruan Ke . . 6 Zhang Jiahai . . 7 Wu Jihui . . 8 Shi Yunyu . . 9 Bayne Elizabeth H. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 110 _Journal_issue 21 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first E1879 _Page_last E1888 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'tandem zinc finger domain of Stc1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'tandem zinc finger domain of Stc1' $entity_1 'ZINC ION_1' $entity_ZN 'ZINC ION_2' $entity_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 entity_1 _Molecular_mass 11085.919 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 97 _Mol_residue_sequence ; HMGKNDNDALIMCMRCRKVK GIDSYSKTQWSKTFTFVRGR TVSVSDPKVICRTCQPKQHD SIWCTACQQTKGINEFSKAQ RHVLDPRCQICVHSQRN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 30 HIS 2 31 MET 3 32 GLY 4 33 LYS 5 34 ASN 6 35 ASP 7 36 ASN 8 37 ASP 9 38 ALA 10 39 LEU 11 40 ILE 12 41 MET 13 42 CYS 14 43 MET 15 44 ARG 16 45 CYS 17 46 ARG 18 47 LYS 19 48 VAL 20 49 LYS 21 50 GLY 22 51 ILE 23 52 ASP 24 53 SER 25 54 TYR 26 55 SER 27 56 LYS 28 57 THR 29 58 GLN 30 59 TRP 31 60 SER 32 61 LYS 33 62 THR 34 63 PHE 35 64 THR 36 65 PHE 37 66 VAL 38 67 ARG 39 68 GLY 40 69 ARG 41 70 THR 42 71 VAL 43 72 SER 44 73 VAL 45 74 SER 46 75 ASP 47 76 PRO 48 77 LYS 49 78 VAL 50 79 ILE 51 80 CYS 52 81 ARG 53 82 THR 54 83 CYS 55 84 GLN 56 85 PRO 57 86 LYS 58 87 GLN 59 88 HIS 60 89 ASP 61 90 SER 62 91 ILE 63 92 TRP 64 93 CYS 65 94 THR 66 95 ALA 67 96 CYS 68 97 GLN 69 98 GLN 70 99 THR 71 100 LYS 72 101 GLY 73 102 ILE 74 103 ASN 75 104 GLU 76 105 PHE 77 106 SER 78 107 LYS 79 108 ALA 80 109 GLN 81 110 ARG 82 111 HIS 83 112 VAL 84 113 LEU 85 114 ASP 86 115 PRO 87 116 ARG 88 117 CYS 89 118 GLN 90 119 ILE 91 120 CYS 92 121 VAL 93 122 HIS 94 123 SER 95 124 GLN 96 125 ARG 97 126 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 2LUY "Solution Structure Of The Tandem Zinc Finger Domain Of Fission Yeast Stc1" 100.00 97 100.00 100.00 1.22e-64 EMBL CAA21813 "LIM-like protein linking chromatin modification to RNAi, Stc1 [Schizosaccharomyces pombe]" 97.94 215 98.95 98.95 2.22e-62 REF NP_596535 "LIM-like protein linking chromatin modification to RNAi, Stc1 [Schizosaccharomyces pombe 972h-]" 97.94 215 98.95 98.95 2.22e-62 SP O94276 "RecName: Full=Meiotic chromosome segregation protein P8B7.28c" 97.94 215 98.95 98.95 2.22e-62 stop_ save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . 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 'fission yeast' 4896 Eukaryota Fungi Schizosaccharomyces pombe stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . pET28a 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 'sodium chloride' 200 mM 'natural abundance' Bis-Tris 20 mM 'natural abundance' $entity_1 0.8 mM '[U-100% 13C; U-100% 15N]' $entity_ZN 1.6 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'chemical shift calculation' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 . M pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 water C 13 protons ppm 4.773 internal indirect . . . 0.251449530 water H 1 protons ppm 4.773 internal direct . . . 1.0 water N 15 protons ppm 4.773 internal 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D H(CCO)NH' '3D C(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'tandem zinc finger domain of Stc1' _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 31 2 MET HA H 4.494 0.005 1 2 31 2 MET HB2 H 1.954 0.008 2 3 31 2 MET HB3 H 2.113 0.006 2 4 31 2 MET HG2 H 2.536 0.003 2 5 31 2 MET HG3 H 2.536 0.003 2 6 31 2 MET C C 176.368 0.000 1 7 31 2 MET CA C 55.522 0.113 1 8 31 2 MET CB C 32.356 0.286 1 9 31 2 MET CG C 32.199 0.016 1 10 32 3 GLY H H 8.973 0.005 1 11 32 3 GLY HA2 H 3.833 0.009 2 12 32 3 GLY HA3 H 3.947 0.005 2 13 32 3 GLY C C 173.977 0.001 1 14 32 3 GLY CA C 45.060 0.027 1 15 32 3 GLY N N 111.788 0.025 1 16 33 4 LYS H H 8.319 0.002 1 17 33 4 LYS HA H 4.305 0.003 1 18 33 4 LYS HB2 H 1.780 0.013 2 19 33 4 LYS HB3 H 1.780 0.013 2 20 33 4 LYS HG2 H 1.397 0.000 2 21 33 4 LYS HG3 H 1.397 0.000 2 22 33 4 LYS HE2 H 2.979 0.000 2 23 33 4 LYS HE3 H 2.979 0.000 2 24 33 4 LYS C C 176.217 0.000 1 25 33 4 LYS CA C 56.477 0.093 1 26 33 4 LYS CB C 33.060 0.064 1 27 33 4 LYS CG C 24.461 0.000 1 28 33 4 LYS CD C 28.758 0.000 1 29 33 4 LYS CE C 42.174 0.000 1 30 33 4 LYS N N 121.256 0.043 1 31 34 5 ASN H H 8.625 0.004 1 32 34 5 ASN HA H 4.726 0.008 1 33 34 5 ASN HB2 H 2.664 0.007 2 34 34 5 ASN HB3 H 2.830 0.007 2 35 34 5 ASN HD21 H 7.630 0.000 2 36 34 5 ASN HD22 H 6.906 0.000 2 37 34 5 ASN C C 175.083 0.009 1 38 34 5 ASN CA C 52.861 0.097 1 39 34 5 ASN CB C 38.945 0.059 1 40 34 5 ASN N N 119.835 0.023 1 41 34 5 ASN ND2 N 112.839 0.146 1 42 35 6 ASP H H 8.304 0.004 1 43 35 6 ASP HA H 4.509 0.014 1 44 35 6 ASP HB2 H 2.522 0.009 2 45 35 6 ASP HB3 H 2.675 0.005 2 46 35 6 ASP C C 176.297 0.000 1 47 35 6 ASP CA C 55.096 0.003 1 48 35 6 ASP CB C 40.843 0.122 1 49 35 6 ASP N N 121.107 0.066 1 50 36 7 ASN H H 8.433 0.004 1 51 36 7 ASN HA H 4.697 0.006 1 52 36 7 ASN HB2 H 2.735 0.019 2 53 36 7 ASN HB3 H 2.838 0.006 2 54 36 7 ASN HD21 H 7.629 0.000 2 55 36 7 ASN HD22 H 6.905 0.000 2 56 36 7 ASN C C 175.281 0.007 1 57 36 7 ASN CA C 53.878 0.074 1 58 36 7 ASN CB C 38.715 0.041 1 59 36 7 ASN N N 118.390 0.022 1 60 36 7 ASN ND2 N 113.338 0.000 1 61 37 8 ASP H H 8.282 0.007 1 62 37 8 ASP HA H 4.667 0.002 1 63 37 8 ASP HB2 H 2.713 0.002 2 64 37 8 ASP HB3 H 2.713 0.002 2 65 37 8 ASP C C 175.720 0.000 1 66 37 8 ASP CA C 54.447 0.123 1 67 37 8 ASP CB C 41.163 0.053 1 68 37 8 ASP N N 120.502 0.068 1 69 38 9 ALA H H 7.945 0.004 1 70 38 9 ALA HA H 4.264 0.014 1 71 38 9 ALA HB H 1.452 0.011 1 72 38 9 ALA C C 176.147 0.000 1 73 38 9 ALA CA C 52.865 0.100 1 74 38 9 ALA CB C 19.466 0.047 1 75 38 9 ALA N N 123.568 0.026 1 76 39 10 LEU H H 8.042 0.003 1 77 39 10 LEU HA H 4.831 0.007 1 78 39 10 LEU HB2 H 1.077 0.013 2 79 39 10 LEU HB3 H 1.641 0.010 2 80 39 10 LEU HG H 1.628 0.010 1 81 39 10 LEU HD1 H 0.857 0.007 2 82 39 10 LEU HD2 H 0.753 0.016 2 83 39 10 LEU C C 176.234 0.000 1 84 39 10 LEU CA C 53.601 0.089 1 85 39 10 LEU CB C 43.909 0.074 1 86 39 10 LEU CG C 26.222 0.098 1 87 39 10 LEU CD1 C 25.717 0.033 2 88 39 10 LEU CD2 C 22.871 0.080 2 89 39 10 LEU N N 120.771 0.026 1 90 40 11 ILE H H 9.380 0.005 1 91 40 11 ILE HA H 4.415 0.004 1 92 40 11 ILE HB H 1.780 0.007 1 93 40 11 ILE HG12 H 1.234 0.008 2 94 40 11 ILE HG13 H 0.909 0.010 2 95 40 11 ILE HG2 H 0.527 0.010 1 96 40 11 ILE HD1 H 0.486 0.005 1 97 40 11 ILE C C 177.132 0.000 1 98 40 11 ILE CA C 58.157 0.099 1 99 40 11 ILE CB C 40.049 0.085 1 100 40 11 ILE CG1 C 27.268 0.064 1 101 40 11 ILE CG2 C 17.833 0.042 1 102 40 11 ILE CD1 C 10.630 0.021 1 103 40 11 ILE N N 123.891 0.027 1 104 41 12 MET H H 9.210 0.011 1 105 41 12 MET HA H 4.416 0.008 1 106 41 12 MET HB2 H 1.883 0.013 2 107 41 12 MET HB3 H 1.990 0.015 2 108 41 12 MET HG2 H 2.262 0.011 2 109 41 12 MET HG3 H 2.262 0.011 2 110 41 12 MET HE H 1.969 0.006 1 111 41 12 MET C C 173.261 0.004 1 112 41 12 MET CA C 55.678 0.060 1 113 41 12 MET CB C 32.726 1.236 1 114 41 12 MET CG C 30.827 0.153 1 115 41 12 MET CE C 16.634 0.012 1 116 41 12 MET N N 133.029 0.040 1 117 42 13 CYS H H 8.360 0.004 1 118 42 13 CYS HA H 4.632 0.007 1 119 42 13 CYS HB2 H 3.018 0.008 2 120 42 13 CYS HB3 H 3.579 0.005 2 121 42 13 CYS C C 177.865 0.003 1 122 42 13 CYS CA C 59.159 0.100 1 123 42 13 CYS CB C 31.285 0.045 1 124 42 13 CYS N N 132.043 0.029 1 125 43 14 MET H H 9.302 0.007 1 126 43 14 MET HA H 4.260 0.008 1 127 43 14 MET HB2 H 2.278 0.005 2 128 43 14 MET HB3 H 2.183 0.007 2 129 43 14 MET HG2 H 2.586 0.098 2 130 43 14 MET HG3 H 2.492 0.114 2 131 43 14 MET HE H 1.992 0.004 1 132 43 14 MET C C 176.025 0.017 1 133 43 14 MET CA C 58.065 0.097 1 134 43 14 MET CB C 32.868 0.111 1 135 43 14 MET CG C 31.174 0.056 1 136 43 14 MET CE C 16.957 0.018 1 137 43 14 MET N N 127.881 0.025 1 138 44 15 ARG H H 9.397 0.003 1 139 44 15 ARG HA H 4.510 0.008 1 140 44 15 ARG HB2 H 1.770 0.004 2 141 44 15 ARG HB3 H 2.237 0.004 2 142 44 15 ARG HG2 H 1.574 0.010 2 143 44 15 ARG HG3 H 1.574 0.010 2 144 44 15 ARG HD2 H 3.141 0.008 2 145 44 15 ARG HD3 H 2.993 0.008 2 146 44 15 ARG CA C 58.069 0.071 1 147 44 15 ARG CB C 30.685 0.063 1 148 44 15 ARG CG C 27.889 0.116 1 149 44 15 ARG CD C 42.665 0.069 1 150 44 15 ARG N N 123.695 0.044 1 151 45 16 CYS H H 8.379 0.003 1 152 45 16 CYS HA H 4.597 0.012 1 153 45 16 CYS HB2 H 2.718 0.006 2 154 45 16 CYS HB3 H 3.068 0.017 2 155 45 16 CYS C C 175.996 0.000 1 156 45 16 CYS CA C 59.388 0.093 1 157 45 16 CYS CB C 31.013 0.086 1 158 45 16 CYS N N 118.868 0.050 1 159 46 17 ARG H H 7.695 0.004 1 160 46 17 ARG HA H 4.192 0.009 1 161 46 17 ARG HB2 H 2.052 0.014 2 162 46 17 ARG HB3 H 2.121 0.001 2 163 46 17 ARG HG2 H 1.513 0.007 2 164 46 17 ARG HG3 H 1.417 0.009 2 165 46 17 ARG HD2 H 3.115 0.005 2 166 46 17 ARG HD3 H 3.115 0.005 2 167 46 17 ARG HE H 7.125 0.003 1 168 46 17 ARG C C 174.825 0.005 1 169 46 17 ARG CA C 56.862 0.129 1 170 46 17 ARG CB C 25.929 0.061 1 171 46 17 ARG CG C 26.747 0.193 1 172 46 17 ARG CD C 42.438 0.025 1 173 46 17 ARG N N 115.474 0.041 1 174 46 17 ARG NE N 84.449 0.059 1 175 47 18 LYS H H 7.828 0.004 1 176 47 18 LYS HA H 4.635 0.009 1 177 47 18 LYS HB2 H 1.714 0.022 2 178 47 18 LYS HB3 H 1.994 0.004 2 179 47 18 LYS HG2 H 1.473 0.002 2 180 47 18 LYS HG3 H 1.473 0.002 2 181 47 18 LYS HD2 H 1.672 0.005 2 182 47 18 LYS HD3 H 1.672 0.005 2 183 47 18 LYS HE2 H 2.980 0.003 2 184 47 18 LYS HE3 H 2.980 0.003 2 185 47 18 LYS C C 176.163 0.005 1 186 47 18 LYS CA C 54.781 0.120 1 187 47 18 LYS CB C 33.778 0.062 1 188 47 18 LYS CG C 25.279 0.000 1 189 47 18 LYS CD C 28.760 0.062 1 190 47 18 LYS CE C 42.191 0.148 1 191 47 18 LYS N N 118.463 0.032 1 192 48 19 VAL H H 8.386 0.003 1 193 48 19 VAL HA H 4.183 0.005 1 194 48 19 VAL HB H 1.899 0.009 1 195 48 19 VAL HG1 H 0.832 0.007 2 196 48 19 VAL HG2 H 0.943 0.011 2 197 48 19 VAL C C 175.914 0.000 1 198 48 19 VAL CA C 61.960 0.192 1 199 48 19 VAL CB C 31.368 0.086 1 200 48 19 VAL CG1 C 22.980 0.076 2 201 48 19 VAL CG2 C 20.228 0.056 2 202 48 19 VAL N N 119.364 0.094 1 203 49 20 LYS H H 8.491 0.003 1 204 49 20 LYS HA H 4.875 0.009 1 205 49 20 LYS HB2 H 1.795 0.008 2 206 49 20 LYS HB3 H 2.125 0.006 2 207 49 20 LYS HG2 H 1.310 0.009 2 208 49 20 LYS HG3 H 1.310 0.009 2 209 49 20 LYS HD2 H 1.623 0.006 2 210 49 20 LYS HD3 H 1.623 0.006 2 211 49 20 LYS C C 175.005 0.004 1 212 49 20 LYS CA C 55.031 0.062 1 213 49 20 LYS CB C 37.949 0.121 1 214 49 20 LYS CG C 25.750 0.000 1 215 49 20 LYS CD C 30.454 0.000 1 216 49 20 LYS N N 125.624 0.023 1 217 50 21 GLY H H 8.541 0.003 1 218 50 21 GLY HA2 H 3.804 0.008 2 219 50 21 GLY HA3 H 5.099 0.008 2 220 50 21 GLY C C 174.685 0.033 1 221 50 21 GLY CA C 43.539 0.065 1 222 50 21 GLY N N 108.395 0.035 1 223 51 22 ILE H H 8.339 0.005 1 224 51 22 ILE HA H 2.385 0.010 1 225 51 22 ILE HB H 0.919 0.008 1 226 51 22 ILE HG12 H 0.282 0.009 2 227 51 22 ILE HG13 H 0.282 0.009 2 228 51 22 ILE HG2 H 0.645 0.007 1 229 51 22 ILE HD1 H 0.447 0.012 1 230 51 22 ILE C C 176.000 0.000 1 231 51 22 ILE CA C 64.157 0.089 1 232 51 22 ILE CB C 38.315 0.045 1 233 51 22 ILE CG1 C 27.967 0.000 1 234 51 22 ILE CG2 C 14.715 0.059 1 235 51 22 ILE CD1 C 14.349 0.025 1 236 51 22 ILE N N 118.953 0.043 1 237 52 23 ASP H H 8.123 0.003 1 238 52 23 ASP HA H 4.446 0.006 1 239 52 23 ASP HB2 H 2.517 0.007 2 240 52 23 ASP HB3 H 2.673 0.006 2 241 52 23 ASP C C 177.858 0.002 1 242 52 23 ASP CA C 55.721 0.050 1 243 52 23 ASP CB C 40.293 0.028 1 244 52 23 ASP N N 118.203 0.029 1 245 53 24 SER H H 8.446 0.003 1 246 53 24 SER HA H 4.441 0.006 1 247 53 24 SER HB2 H 3.849 0.029 2 248 53 24 SER HB3 H 3.849 0.029 2 249 53 24 SER C C 171.212 0.025 1 250 53 24 SER CA C 59.106 0.077 1 251 53 24 SER CB C 64.232 0.461 1 252 53 24 SER N N 114.585 0.026 1 253 54 25 TYR H H 7.538 0.004 1 254 54 25 TYR HA H 5.023 0.006 1 255 54 25 TYR HB2 H 2.872 0.012 2 256 54 25 TYR HB3 H 3.298 0.009 2 257 54 25 TYR HD1 H 7.166 0.012 3 258 54 25 TYR HD2 H 7.166 0.012 3 259 54 25 TYR HE1 H 6.958 0.008 3 260 54 25 TYR HE2 H 6.958 0.008 3 261 54 25 TYR C C 175.724 0.004 1 262 54 25 TYR CA C 57.417 0.069 1 263 54 25 TYR CB C 43.508 0.046 1 264 54 25 TYR N N 118.586 0.021 1 265 55 26 SER H H 9.822 0.006 1 266 55 26 SER HA H 4.568 0.017 1 267 55 26 SER HB2 H 4.490 0.006 2 268 55 26 SER HB3 H 4.123 0.007 2 269 55 26 SER C C 174.981 0.008 1 270 55 26 SER CA C 57.203 0.054 1 271 55 26 SER CB C 64.490 0.086 1 272 55 26 SER N N 119.472 0.038 1 273 56 27 LYS H H 9.211 0.005 1 274 56 27 LYS HA H 4.193 0.007 1 275 56 27 LYS HB2 H 1.945 0.004 2 276 56 27 LYS HB3 H 2.008 0.002 2 277 56 27 LYS HG2 H 1.567 0.032 2 278 56 27 LYS HG3 H 1.567 0.032 2 279 56 27 LYS HD2 H 1.641 0.007 2 280 56 27 LYS HD3 H 1.752 0.004 2 281 56 27 LYS HE2 H 3.036 0.010 2 282 56 27 LYS HE3 H 3.036 0.010 2 283 56 27 LYS C C 179.868 0.008 1 284 56 27 LYS CA C 60.222 0.080 1 285 56 27 LYS CB C 32.117 0.063 1 286 56 27 LYS CG C 25.079 0.000 1 287 56 27 LYS CD C 29.195 0.039 1 288 56 27 LYS CE C 41.910 0.152 1 289 56 27 LYS N N 123.614 0.033 1 290 57 28 THR H H 8.290 0.003 1 291 57 28 THR HA H 4.045 0.007 1 292 57 28 THR HB H 4.213 0.004 1 293 57 28 THR HG2 H 1.270 0.010 1 294 57 28 THR C C 177.418 0.004 1 295 57 28 THR CA C 65.757 0.096 1 296 57 28 THR CB C 68.591 0.095 1 297 57 28 THR CG2 C 22.078 0.054 1 298 57 28 THR N N 113.002 0.035 1 299 58 29 GLN H H 7.768 0.005 1 300 58 29 GLN HA H 4.019 0.006 1 301 58 29 GLN HB2 H 2.421 0.021 2 302 58 29 GLN HB3 H 2.421 0.021 2 303 58 29 GLN HG2 H 3.237 0.013 2 304 58 29 GLN HG3 H 3.237 0.013 2 305 58 29 GLN HE21 H 7.590 0.002 2 306 58 29 GLN HE22 H 7.012 0.003 2 307 58 29 GLN C C 177.687 0.002 1 308 58 29 GLN CA C 58.612 0.085 1 309 58 29 GLN CB C 28.759 0.073 1 310 58 29 GLN CG C 34.144 0.064 1 311 58 29 GLN N N 120.573 0.032 1 312 58 29 GLN NE2 N 114.066 0.015 1 313 59 30 TRP H H 9.140 0.003 1 314 59 30 TRP HA H 4.034 0.006 1 315 59 30 TRP HB2 H 3.250 0.009 2 316 59 30 TRP HB3 H 3.464 0.017 2 317 59 30 TRP HD1 H 7.283 0.014 1 318 59 30 TRP HE1 H 9.986 0.002 1 319 59 30 TRP HE3 H 7.545 0.005 1 320 59 30 TRP HZ2 H 7.437 0.005 1 321 59 30 TRP C C 179.052 0.012 1 322 59 30 TRP CA C 59.661 0.105 1 323 59 30 TRP CB C 29.827 0.068 1 324 59 30 TRP N N 119.186 0.044 1 325 59 30 TRP NE1 N 128.360 0.048 1 326 60 31 SER H H 8.124 0.003 1 327 60 31 SER HA H 3.983 0.013 1 328 60 31 SER HB2 H 3.956 0.000 2 329 60 31 SER HB3 H 3.956 0.000 2 330 60 31 SER C C 173.960 0.000 1 331 60 31 SER CA C 61.050 0.078 1 332 60 31 SER CB C 62.209 0.967 1 333 60 31 SER N N 113.240 0.023 1 334 61 32 LYS H H 7.337 0.004 1 335 61 32 LYS HA H 4.148 0.009 1 336 61 32 LYS HB2 H 1.786 0.011 2 337 61 32 LYS HB3 H 1.786 0.011 2 338 61 32 LYS HG2 H 1.376 0.017 2 339 61 32 LYS HG3 H 1.376 0.017 2 340 61 32 LYS HD2 H 1.691 0.011 2 341 61 32 LYS HD3 H 1.691 0.011 2 342 61 32 LYS HE2 H 2.950 0.004 2 343 61 32 LYS HE3 H 2.950 0.004 2 344 61 32 LYS C C 177.289 0.000 1 345 61 32 LYS CA C 56.951 0.076 1 346 61 32 LYS CB C 31.777 0.091 1 347 61 32 LYS CG C 25.054 0.000 1 348 61 32 LYS CD C 29.087 0.101 1 349 61 32 LYS CE C 42.046 0.072 1 350 61 32 LYS N N 117.884 0.062 1 351 62 33 THR H H 7.712 0.009 1 352 62 33 THR HA H 3.749 0.010 1 353 62 33 THR HB H 3.853 0.011 1 354 62 33 THR HG2 H 0.493 0.007 1 355 62 33 THR C C 173.505 0.004 1 356 62 33 THR CA C 62.883 0.066 1 357 62 33 THR CB C 69.444 0.143 1 358 62 33 THR CG2 C 21.349 0.041 1 359 62 33 THR N N 106.630 0.027 1 360 63 34 PHE H H 7.035 0.005 1 361 63 34 PHE HA H 5.218 0.006 1 362 63 34 PHE HB2 H 2.697 0.015 2 363 63 34 PHE HB3 H 2.697 0.015 2 364 63 34 PHE HD1 H 6.678 0.008 3 365 63 34 PHE HD2 H 6.678 0.008 3 366 63 34 PHE HE1 H 7.077 0.008 3 367 63 34 PHE HE2 H 7.077 0.008 3 368 63 34 PHE C C 172.593 0.003 1 369 63 34 PHE CA C 55.785 0.071 1 370 63 34 PHE CB C 40.899 0.059 1 371 63 34 PHE N N 118.330 0.033 1 372 64 35 THR H H 8.923 0.004 1 373 64 35 THR HA H 4.418 0.009 1 374 64 35 THR HB H 3.899 0.008 1 375 64 35 THR HG2 H 0.942 0.014 1 376 64 35 THR C C 172.051 0.006 1 377 64 35 THR CA C 59.505 0.077 1 378 64 35 THR CB C 70.413 0.054 1 379 64 35 THR CG2 C 19.960 0.071 1 380 64 35 THR N N 113.322 0.031 1 381 65 36 PHE H H 8.360 0.004 1 382 65 36 PHE HA H 5.423 0.005 1 383 65 36 PHE HB2 H 2.908 0.003 2 384 65 36 PHE HB3 H 2.965 0.003 2 385 65 36 PHE HD1 H 7.133 0.015 3 386 65 36 PHE HD2 H 7.133 0.015 3 387 65 36 PHE HE1 H 6.788 0.001 3 388 65 36 PHE HE2 H 6.788 0.001 3 389 65 36 PHE HZ H 7.292 0.008 1 390 65 36 PHE C C 175.860 0.004 1 391 65 36 PHE CA C 56.792 0.087 1 392 65 36 PHE CB C 41.098 0.040 1 393 65 36 PHE N N 122.612 0.028 1 394 66 37 VAL H H 8.953 0.005 1 395 66 37 VAL HA H 4.190 0.007 1 396 66 37 VAL HB H 1.882 0.005 1 397 66 37 VAL HG1 H 0.876 0.006 2 398 66 37 VAL HG2 H 0.876 0.006 2 399 66 37 VAL C C 175.516 0.022 1 400 66 37 VAL CA C 61.603 0.116 1 401 66 37 VAL CB C 34.335 0.075 1 402 66 37 VAL CG1 C 20.910 0.061 2 403 66 37 VAL CG2 C 20.910 0.061 2 404 66 37 VAL N N 125.161 0.017 1 405 67 38 ARG H H 9.453 0.005 1 406 67 38 ARG HA H 3.846 0.011 1 407 67 38 ARG HB2 H 1.886 0.151 2 408 67 38 ARG HB3 H 1.829 0.093 2 409 67 38 ARG HG2 H 1.639 0.002 2 410 67 38 ARG HG3 H 1.591 0.005 2 411 67 38 ARG HD2 H 3.254 0.003 2 412 67 38 ARG HD3 H 3.177 0.002 2 413 67 38 ARG C C 176.349 0.003 1 414 67 38 ARG CA C 57.066 0.064 1 415 67 38 ARG CB C 28.152 0.105 1 416 67 38 ARG CG C 28.019 0.000 1 417 67 38 ARG CD C 43.235 0.039 1 418 67 38 ARG N N 127.157 0.017 1 419 68 39 GLY H H 8.213 0.003 1 420 68 39 GLY HA2 H 3.561 0.005 2 421 68 39 GLY HA3 H 4.104 0.010 2 422 68 39 GLY C C 173.650 0.003 1 423 68 39 GLY CA C 45.485 0.080 1 424 68 39 GLY N N 103.610 0.023 1 425 69 40 ARG H H 7.766 0.002 1 426 69 40 ARG HA H 4.710 0.006 1 427 69 40 ARG HB2 H 1.841 0.004 2 428 69 40 ARG HB3 H 1.763 0.001 2 429 69 40 ARG HG2 H 1.592 0.006 2 430 69 40 ARG HG3 H 1.592 0.006 2 431 69 40 ARG HD2 H 3.177 0.005 2 432 69 40 ARG HD3 H 3.177 0.005 2 433 69 40 ARG C C 174.908 0.003 1 434 69 40 ARG CA C 54.334 0.092 1 435 69 40 ARG CB C 32.474 0.066 1 436 69 40 ARG CG C 26.874 0.088 1 437 69 40 ARG CD C 43.199 0.035 1 438 69 40 ARG N N 120.625 0.018 1 439 70 41 THR H H 8.530 0.005 1 440 70 41 THR HA H 4.699 0.002 1 441 70 41 THR HB H 3.890 0.011 1 442 70 41 THR HG2 H 0.884 0.009 1 443 70 41 THR C C 174.686 0.000 1 444 70 41 THR CA C 62.309 0.072 1 445 70 41 THR CB C 69.137 0.151 1 446 70 41 THR CG2 C 22.275 0.038 1 447 70 41 THR N N 117.220 0.023 1 448 71 42 VAL H H 8.977 0.004 1 449 71 42 VAL HA H 4.408 0.007 1 450 71 42 VAL HB H 1.964 0.007 1 451 71 42 VAL HG1 H 0.777 0.007 2 452 71 42 VAL HG2 H 0.873 0.004 2 453 71 42 VAL C C 175.422 0.000 1 454 71 42 VAL CA C 60.525 0.075 1 455 71 42 VAL CB C 34.761 0.130 1 456 71 42 VAL CG1 C 20.764 0.046 2 457 71 42 VAL CG2 C 21.039 0.041 2 458 71 42 VAL N N 125.096 0.028 1 459 72 43 SER H H 8.672 0.006 1 460 72 43 SER HA H 4.458 0.008 1 461 72 43 SER HB2 H 3.709 0.003 2 462 72 43 SER HB3 H 3.813 0.004 2 463 72 43 SER C C 174.608 0.000 1 464 72 43 SER CA C 59.487 0.111 1 465 72 43 SER CB C 63.474 0.088 1 466 72 43 SER N N 120.951 0.025 1 467 73 44 VAL H H 7.769 0.003 1 468 73 44 VAL HA H 3.918 0.013 1 469 73 44 VAL HB H 1.621 0.014 1 470 73 44 VAL HG1 H 0.728 0.003 2 471 73 44 VAL HG2 H 0.627 0.005 2 472 73 44 VAL C C 176.068 0.010 1 473 73 44 VAL CA C 61.645 0.103 1 474 73 44 VAL CB C 33.119 0.089 1 475 73 44 VAL CG1 C 20.752 0.027 2 476 73 44 VAL CG2 C 20.888 0.027 2 477 73 44 VAL N N 125.127 0.025 1 478 74 45 SER H H 8.589 0.002 1 479 74 45 SER HA H 4.200 0.005 1 480 74 45 SER HB2 H 3.759 0.007 2 481 74 45 SER HB3 H 3.759 0.007 2 482 74 45 SER C C 173.932 0.000 1 483 74 45 SER CA C 59.472 0.145 1 484 74 45 SER CB C 63.153 0.123 1 485 74 45 SER N N 122.026 0.033 1 486 75 46 ASP H H 8.714 0.003 1 487 75 46 ASP HA H 4.583 0.007 1 488 75 46 ASP HB2 H 2.628 0.108 2 489 75 46 ASP HB3 H 2.489 0.108 2 490 75 46 ASP CA C 53.256 0.067 1 491 75 46 ASP CB C 40.605 0.023 1 492 75 46 ASP N N 121.112 0.021 1 493 76 47 PRO HA H 4.191 0.005 1 494 76 47 PRO HB2 H 1.447 0.004 2 495 76 47 PRO HB3 H 1.773 0.013 2 496 76 47 PRO HG2 H 1.898 0.003 2 497 76 47 PRO HG3 H 1.898 0.003 2 498 76 47 PRO HD2 H 3.624 0.014 2 499 76 47 PRO HD3 H 3.624 0.014 2 500 76 47 PRO C C 176.828 0.000 1 501 76 47 PRO CA C 62.984 0.106 1 502 76 47 PRO CB C 31.780 0.065 1 503 76 47 PRO CG C 27.051 0.051 1 504 76 47 PRO CD C 49.827 0.074 1 505 77 48 LYS H H 8.654 0.005 1 506 77 48 LYS HA H 4.439 0.004 1 507 77 48 LYS HB2 H 1.807 0.021 2 508 77 48 LYS HB3 H 1.807 0.021 2 509 77 48 LYS HG2 H 1.440 0.042 2 510 77 48 LYS HG3 H 1.440 0.042 2 511 77 48 LYS HD2 H 1.613 0.008 2 512 77 48 LYS HD3 H 1.613 0.008 2 513 77 48 LYS HE2 H 2.972 0.000 2 514 77 48 LYS HE3 H 2.972 0.000 2 515 77 48 LYS C C 175.097 0.003 1 516 77 48 LYS CA C 54.924 0.079 1 517 77 48 LYS CB C 30.601 0.099 1 518 77 48 LYS CG C 24.016 0.000 1 519 77 48 LYS CD C 28.708 0.006 1 520 77 48 LYS CE C 42.405 0.000 1 521 77 48 LYS N N 124.522 0.047 1 522 78 49 VAL H H 8.283 0.007 1 523 78 49 VAL HA H 4.834 0.004 1 524 78 49 VAL HB H 1.961 0.007 1 525 78 49 VAL HG1 H 0.624 0.007 2 526 78 49 VAL HG2 H 0.464 0.010 2 527 78 49 VAL C C 173.514 0.000 1 528 78 49 VAL CA C 59.098 0.072 1 529 78 49 VAL CB C 36.157 0.134 1 530 78 49 VAL CG1 C 24.251 0.066 2 531 78 49 VAL CG2 C 19.777 0.056 2 532 78 49 VAL N N 116.319 0.047 1 533 79 50 ILE H H 7.958 0.004 1 534 79 50 ILE HA H 5.606 0.005 1 535 79 50 ILE HB H 1.482 0.015 1 536 79 50 ILE HG2 H 0.886 0.007 1 537 79 50 ILE HD1 H 0.776 0.005 1 538 79 50 ILE C C 175.201 0.000 1 539 79 50 ILE CA C 58.729 0.086 1 540 79 50 ILE CB C 41.638 0.071 1 541 79 50 ILE CG1 C 28.388 0.000 1 542 79 50 ILE CG2 C 17.974 0.056 1 543 79 50 ILE CD1 C 14.141 0.051 1 544 79 50 ILE N N 119.437 0.043 1 545 80 51 CYS H H 9.871 0.005 1 546 80 51 CYS HA H 4.329 0.006 1 547 80 51 CYS HB2 H 2.337 0.010 2 548 80 51 CYS HB3 H 2.849 0.005 2 549 80 51 CYS C C 175.523 0.007 1 550 80 51 CYS CA C 58.955 0.058 1 551 80 51 CYS CB C 30.331 0.093 1 552 80 51 CYS N N 131.463 0.031 1 553 81 52 ARG H H 8.379 0.004 1 554 81 52 ARG HA H 4.062 0.009 1 555 81 52 ARG HB2 H 1.685 0.060 2 556 81 52 ARG HB3 H 1.683 0.078 2 557 81 52 ARG HG2 H 1.597 0.012 2 558 81 52 ARG HG3 H 1.597 0.012 2 559 81 52 ARG HD2 H 3.038 0.009 2 560 81 52 ARG HD3 H 3.038 0.009 2 561 81 52 ARG C C 179.506 0.006 1 562 81 52 ARG CA C 59.459 0.112 1 563 81 52 ARG CB C 30.654 0.050 1 564 81 52 ARG CG C 28.483 0.099 1 565 81 52 ARG CD C 43.536 0.053 1 566 81 52 ARG N N 116.929 0.026 1 567 82 53 THR H H 8.225 0.004 1 568 82 53 THR HA H 4.086 0.055 1 569 82 53 THR HB H 4.270 0.007 1 570 82 53 THR HG2 H 1.201 0.011 1 571 82 53 THR C C 176.334 0.001 1 572 82 53 THR CA C 65.078 0.118 1 573 82 53 THR CB C 68.241 0.148 1 574 82 53 THR CG2 C 22.395 0.164 1 575 82 53 THR N N 113.442 0.036 1 576 83 54 CYS H H 7.944 0.004 1 577 83 54 CYS HA H 3.959 0.010 1 578 83 54 CYS HB2 H 2.720 0.008 2 579 83 54 CYS HB3 H 3.022 0.012 2 580 83 54 CYS C C 175.855 0.000 1 581 83 54 CYS CA C 63.216 0.082 1 582 83 54 CYS CB C 30.673 0.052 1 583 83 54 CYS N N 123.553 0.033 1 584 84 55 GLN H H 7.636 0.003 1 585 84 55 GLN HA H 4.259 0.014 1 586 84 55 GLN HB2 H 2.013 0.010 2 587 84 55 GLN HB3 H 2.013 0.010 2 588 84 55 GLN HG2 H 2.295 0.011 2 589 84 55 GLN HG3 H 2.495 0.007 2 590 84 55 GLN HE21 H 7.615 0.006 2 591 84 55 GLN HE22 H 6.951 0.001 2 592 84 55 GLN C C 173.498 0.000 1 593 84 55 GLN CA C 55.986 0.065 1 594 84 55 GLN CB C 28.492 0.053 1 595 84 55 GLN CG C 34.539 0.075 1 596 84 55 GLN N N 120.253 0.031 1 597 84 55 GLN NE2 N 113.019 0.178 1 598 85 56 PRO HA H 4.437 0.007 1 599 85 56 PRO HB2 H 2.303 0.002 2 600 85 56 PRO HB3 H 1.861 0.004 2 601 85 56 PRO HG2 H 1.977 0.011 2 602 85 56 PRO HG3 H 1.977 0.011 2 603 85 56 PRO HD2 H 3.661 0.008 2 604 85 56 PRO HD3 H 3.484 0.014 2 605 85 56 PRO C C 177.017 0.000 1 606 85 56 PRO CA C 63.720 0.087 1 607 85 56 PRO CB C 32.068 0.021 1 608 85 56 PRO CG C 27.569 0.029 1 609 85 56 PRO CD C 50.540 0.015 1 610 86 57 LYS H H 8.301 0.004 1 611 86 57 LYS HA H 4.289 0.005 1 612 86 57 LYS HB2 H 1.746 0.001 2 613 86 57 LYS HB3 H 1.815 0.001 2 614 86 57 LYS HG2 H 1.410 0.019 2 615 86 57 LYS HG3 H 1.410 0.019 2 616 86 57 LYS HD2 H 1.670 0.014 2 617 86 57 LYS HD3 H 1.670 0.014 2 618 86 57 LYS HE2 H 2.991 0.012 2 619 86 57 LYS HE3 H 2.991 0.012 2 620 86 57 LYS C C 176.805 0.217 1 621 86 57 LYS CA C 56.349 0.025 1 622 86 57 LYS CB C 32.765 0.242 1 623 86 57 LYS CG C 24.711 0.026 1 624 86 57 LYS CD C 28.907 0.147 1 625 86 57 LYS N N 120.810 0.070 1 626 87 58 GLN H H 8.292 0.003 1 627 87 58 GLN HA H 4.316 0.001 1 628 87 58 GLN HB2 H 1.974 0.002 2 629 87 58 GLN HB3 H 2.067 0.004 2 630 87 58 GLN HG2 H 2.311 0.000 2 631 87 58 GLN HG3 H 2.311 0.000 2 632 87 58 GLN C C 175.818 0.000 1 633 87 58 GLN CB C 29.577 0.025 1 634 87 58 GLN N N 120.897 0.033 1 635 88 59 HIS H H 8.580 0.006 1 636 88 59 HIS HA H 4.639 0.009 1 637 88 59 HIS HB2 H 3.205 0.002 2 638 88 59 HIS HB3 H 3.205 0.002 2 639 88 59 HIS C C 174.814 0.002 1 640 88 59 HIS CA C 56.225 0.034 1 641 88 59 HIS CB C 29.756 0.091 1 642 88 59 HIS N N 120.141 0.009 1 643 89 60 ASP H H 8.466 0.003 1 644 89 60 ASP HA H 4.645 0.007 1 645 89 60 ASP HB2 H 2.711 0.007 2 646 89 60 ASP HB3 H 2.711 0.007 2 647 89 60 ASP C C 175.598 0.000 1 648 89 60 ASP CA C 54.450 0.079 1 649 89 60 ASP CB C 40.900 0.112 1 650 89 60 ASP N N 119.874 0.039 1 651 90 61 SER H H 7.882 0.007 1 652 90 61 SER HA H 5.028 0.004 1 653 90 61 SER HB2 H 3.546 0.011 2 654 90 61 SER HB3 H 3.672 0.009 2 655 90 61 SER C C 172.226 0.008 1 656 90 61 SER CA C 57.614 0.056 1 657 90 61 SER CB C 66.129 0.230 1 658 90 61 SER N N 115.190 0.032 1 659 91 62 ILE H H 9.070 0.002 1 660 91 62 ILE HA H 4.133 0.008 1 661 91 62 ILE HB H 0.750 0.015 1 662 91 62 ILE HG12 H 1.017 0.004 2 663 91 62 ILE HG13 H 0.654 0.002 2 664 91 62 ILE HG2 H 0.272 0.002 1 665 91 62 ILE HD1 H 0.243 0.003 1 666 91 62 ILE C C 173.529 0.002 1 667 91 62 ILE CA C 60.612 0.074 1 668 91 62 ILE CB C 41.798 0.061 1 669 91 62 ILE CG1 C 27.448 0.069 1 670 91 62 ILE CG2 C 17.542 0.033 1 671 91 62 ILE CD1 C 13.862 0.052 1 672 91 62 ILE N N 121.395 0.035 1 673 92 63 TRP H H 8.353 0.004 1 674 92 63 TRP HA H 4.761 0.006 1 675 92 63 TRP HB2 H 2.979 0.007 2 676 92 63 TRP HB3 H 3.276 0.006 2 677 92 63 TRP HD1 H 7.103 0.010 1 678 92 63 TRP HE1 H 9.790 0.006 1 679 92 63 TRP HE3 H 7.516 0.010 1 680 92 63 TRP HZ2 H 7.293 0.005 1 681 92 63 TRP HH2 H 7.006 0.016 1 682 92 63 TRP C C 174.858 0.005 1 683 92 63 TRP CA C 57.295 0.047 1 684 92 63 TRP CB C 29.226 0.150 1 685 92 63 TRP N N 127.866 0.030 1 686 92 63 TRP NE1 N 128.882 0.019 1 687 93 64 CYS H H 8.532 0.005 1 688 93 64 CYS HA H 4.504 0.007 1 689 93 64 CYS HB2 H 2.656 0.006 2 690 93 64 CYS HB3 H 3.392 0.007 2 691 93 64 CYS C C 176.125 0.002 1 692 93 64 CYS CA C 59.507 0.118 1 693 93 64 CYS CB C 30.286 0.052 1 694 93 64 CYS N N 129.705 0.024 1 695 94 65 THR H H 8.468 0.003 1 696 94 65 THR HA H 3.717 0.007 1 697 94 65 THR HB H 4.317 0.010 1 698 94 65 THR HG2 H 1.604 0.003 1 699 94 65 THR C C 174.319 0.007 1 700 94 65 THR CA C 63.952 0.094 1 701 94 65 THR CB C 69.858 0.119 1 702 94 65 THR CG2 C 22.559 0.032 1 703 94 65 THR N N 119.648 0.025 1 704 95 66 ALA H H 8.901 0.003 1 705 95 66 ALA HA H 4.552 0.005 1 706 95 66 ALA HB H 1.483 0.006 1 707 95 66 ALA C C 177.392 0.007 1 708 95 66 ALA CA C 54.072 0.075 1 709 95 66 ALA CB C 21.007 0.054 1 710 95 66 ALA N N 127.385 0.018 1 711 96 67 CYS H H 8.289 0.002 1 712 96 67 CYS HA H 4.608 0.008 1 713 96 67 CYS HB2 H 2.538 0.007 2 714 96 67 CYS HB3 H 3.008 0.014 2 715 96 67 CYS C C 175.548 0.005 1 716 96 67 CYS CA C 58.619 0.047 1 717 96 67 CYS CB C 30.170 0.027 1 718 96 67 CYS N N 118.359 0.017 1 719 97 68 GLN H H 7.409 0.004 1 720 97 68 GLN HA H 2.951 0.005 1 721 97 68 GLN HB2 H 2.216 0.008 2 722 97 68 GLN HB3 H 2.216 0.008 2 723 97 68 GLN HG2 H 1.999 0.007 2 724 97 68 GLN HG3 H 1.999 0.007 2 725 97 68 GLN C C 174.245 0.001 1 726 97 68 GLN CA C 56.270 0.095 1 727 97 68 GLN CB C 24.592 0.037 1 728 97 68 GLN CG C 34.040 0.039 1 729 97 68 GLN N N 117.954 0.033 1 730 98 69 GLN H H 6.621 0.003 1 731 98 69 GLN HA H 4.516 0.007 1 732 98 69 GLN HB2 H 1.914 0.003 2 733 98 69 GLN HB3 H 1.914 0.003 2 734 98 69 GLN HG2 H 2.217 0.001 2 735 98 69 GLN HG3 H 2.301 0.001 2 736 98 69 GLN C C 174.748 0.005 1 737 98 69 GLN CA C 53.928 0.082 1 738 98 69 GLN CB C 32.250 0.175 1 739 98 69 GLN CG C 33.703 0.043 1 740 98 69 GLN N N 114.119 0.023 1 741 99 70 THR H H 8.827 0.004 1 742 99 70 THR HA H 4.698 0.005 1 743 99 70 THR HB H 4.083 0.015 1 744 99 70 THR HG2 H 1.186 0.010 1 745 99 70 THR C C 174.414 0.000 1 746 99 70 THR CA C 63.340 0.118 1 747 99 70 THR CB C 68.617 0.126 1 748 99 70 THR CG2 C 22.831 0.052 1 749 99 70 THR N N 119.930 0.023 1 750 100 71 LYS H H 9.043 0.007 1 751 100 71 LYS HA H 4.856 0.008 1 752 100 71 LYS HB2 H 1.867 0.006 2 753 100 71 LYS HB3 H 1.867 0.006 2 754 100 71 LYS HG2 H 1.258 0.007 2 755 100 71 LYS HG3 H 1.258 0.007 2 756 100 71 LYS HD2 H 1.472 0.000 2 757 100 71 LYS HD3 H 1.472 0.000 2 758 100 71 LYS HE2 H 2.925 0.006 2 759 100 71 LYS HE3 H 2.925 0.006 2 760 100 71 LYS C C 174.940 0.001 1 761 100 71 LYS CA C 54.614 0.069 1 762 100 71 LYS CB C 37.981 0.060 1 763 100 71 LYS CG C 26.190 0.157 1 764 100 71 LYS CD C 30.198 0.000 1 765 100 71 LYS CE C 42.503 0.000 1 766 100 71 LYS N N 127.319 0.022 1 767 101 72 GLY H H 8.707 0.005 1 768 101 72 GLY HA2 H 4.339 0.007 2 769 101 72 GLY HA3 H 3.960 0.013 2 770 101 72 GLY C C 175.463 0.002 1 771 101 72 GLY CA C 45.506 0.086 1 772 101 72 GLY N N 107.051 0.033 1 773 102 73 ILE H H 7.940 0.003 1 774 102 73 ILE HA H 3.858 0.009 1 775 102 73 ILE HB H 1.638 0.006 1 776 102 73 ILE HG12 H 1.406 0.003 2 777 102 73 ILE HG13 H 1.137 0.008 2 778 102 73 ILE HG2 H 0.902 0.008 1 779 102 73 ILE HD1 H 0.838 0.004 1 780 102 73 ILE C C 176.319 0.006 1 781 102 73 ILE CA C 64.898 0.089 1 782 102 73 ILE CB C 38.611 0.093 1 783 102 73 ILE CG1 C 28.161 0.019 1 784 102 73 ILE CG2 C 17.265 0.063 1 785 102 73 ILE CD1 C 14.170 0.035 1 786 102 73 ILE N N 119.662 0.039 1 787 103 74 ASN H H 8.615 0.003 1 788 103 74 ASN HA H 4.694 0.005 1 789 103 74 ASN HB2 H 2.855 0.010 2 790 103 74 ASN HB3 H 2.855 0.010 2 791 103 74 ASN HD21 H 7.683 0.005 2 792 103 74 ASN HD22 H 7.019 0.003 2 793 103 74 ASN C C 176.255 0.000 1 794 103 74 ASN CA C 54.772 0.043 1 795 103 74 ASN CB C 37.523 0.085 1 796 103 74 ASN N N 115.436 0.026 1 797 103 74 ASN ND2 N 113.125 0.034 1 798 104 75 GLU H H 8.326 0.006 1 799 104 75 GLU HA H 4.270 0.006 1 800 104 75 GLU HB2 H 2.148 0.006 2 801 104 75 GLU HB3 H 2.148 0.006 2 802 104 75 GLU HG2 H 2.262 0.002 2 803 104 75 GLU HG3 H 2.146 0.001 2 804 104 75 GLU C C 173.702 0.000 1 805 104 75 GLU CA C 56.529 0.143 1 806 104 75 GLU CB C 28.544 0.171 1 807 104 75 GLU CG C 37.408 0.093 1 808 104 75 GLU N N 118.369 0.043 1 809 105 76 PHE H H 7.948 0.003 1 810 105 76 PHE HA H 4.824 0.007 1 811 105 76 PHE HB2 H 2.762 0.005 2 812 105 76 PHE HB3 H 2.951 0.021 2 813 105 76 PHE HD1 H 7.122 0.015 3 814 105 76 PHE HD2 H 7.122 0.015 3 815 105 76 PHE HE1 H 6.997 0.012 3 816 105 76 PHE HE2 H 6.997 0.012 3 817 105 76 PHE C C 175.671 0.000 1 818 105 76 PHE CA C 55.853 0.057 1 819 105 76 PHE CB C 41.970 0.145 1 820 105 76 PHE N N 119.203 0.031 1 821 106 77 SER H H 9.732 0.005 1 822 106 77 SER HA H 4.417 0.005 1 823 106 77 SER HB2 H 4.265 0.011 2 824 106 77 SER HB3 H 4.037 0.010 2 825 106 77 SER C C 175.332 0.006 1 826 106 77 SER CA C 57.556 0.036 1 827 106 77 SER CB C 64.035 0.171 1 828 106 77 SER N N 120.429 0.027 1 829 107 78 LYS H H 8.962 0.003 1 830 107 78 LYS HA H 3.705 0.006 1 831 107 78 LYS HB2 H 1.896 0.006 2 832 107 78 LYS HB3 H 1.896 0.006 2 833 107 78 LYS HG2 H 1.463 0.006 2 834 107 78 LYS HG3 H 1.604 0.005 2 835 107 78 LYS HD2 H 1.752 0.007 2 836 107 78 LYS HD3 H 1.752 0.007 2 837 107 78 LYS HE2 H 3.022 0.013 2 838 107 78 LYS HE3 H 3.022 0.013 2 839 107 78 LYS C C 178.875 0.013 1 840 107 78 LYS CA C 60.786 0.069 1 841 107 78 LYS CB C 31.983 0.060 1 842 107 78 LYS CG C 25.511 0.069 1 843 107 78 LYS CD C 28.895 0.000 1 844 107 78 LYS N N 122.447 0.029 1 845 108 79 ALA H H 8.376 0.016 1 846 108 79 ALA HA H 4.200 0.008 1 847 108 79 ALA HB H 1.459 0.008 1 848 108 79 ALA C C 180.550 0.013 1 849 108 79 ALA CA C 54.590 0.078 1 850 108 79 ALA CB C 18.727 0.070 1 851 108 79 ALA N N 118.640 0.060 1 852 109 80 GLN H H 7.688 0.003 1 853 109 80 GLN HA H 4.179 0.010 1 854 109 80 GLN HB2 H 2.264 0.011 2 855 109 80 GLN HB3 H 2.629 0.008 2 856 109 80 GLN HG2 H 2.275 0.004 2 857 109 80 GLN HG3 H 2.948 0.004 2 858 109 80 GLN HE21 H 7.195 0.000 2 859 109 80 GLN HE22 H 6.835 0.000 2 860 109 80 GLN C C 176.421 0.003 1 861 109 80 GLN CA C 56.524 0.101 1 862 109 80 GLN CB C 29.465 0.049 1 863 109 80 GLN CG C 33.979 0.075 1 864 109 80 GLN N N 115.772 0.057 1 865 109 80 GLN NE2 N 110.950 0.001 1 866 110 81 ARG H H 7.444 0.002 1 867 110 81 ARG HA H 3.663 0.011 1 868 110 81 ARG HB2 H 1.544 0.008 2 869 110 81 ARG HB3 H 1.544 0.008 2 870 110 81 ARG HG2 H 1.300 0.008 2 871 110 81 ARG HG3 H 1.921 0.005 2 872 110 81 ARG HD2 H 3.009 0.012 2 873 110 81 ARG HD3 H 3.131 0.005 2 874 110 81 ARG HE H 6.335 0.003 1 875 110 81 ARG C C 176.682 0.025 1 876 110 81 ARG CA C 58.561 0.063 1 877 110 81 ARG CB C 30.053 0.088 1 878 110 81 ARG CG C 27.485 0.135 1 879 110 81 ARG CD C 44.252 0.035 1 880 110 81 ARG N N 114.451 0.033 1 881 110 81 ARG NE N 84.169 0.040 1 882 111 82 HIS H H 7.677 0.003 1 883 111 82 HIS HA H 4.858 0.007 1 884 111 82 HIS HB2 H 2.943 0.008 2 885 111 82 HIS HB3 H 3.444 0.010 2 886 111 82 HIS C C 174.954 0.003 1 887 111 82 HIS CA C 54.917 0.050 1 888 111 82 HIS CB C 29.938 0.063 1 889 111 82 HIS N N 113.143 0.045 1 890 112 83 VAL H H 6.815 0.004 1 891 112 83 VAL HA H 4.585 0.007 1 892 112 83 VAL HB H 2.406 0.007 1 893 112 83 VAL HG1 H 0.982 0.010 2 894 112 83 VAL HG2 H 0.843 0.012 2 895 112 83 VAL C C 175.763 0.003 1 896 112 83 VAL CA C 60.236 0.097 1 897 112 83 VAL CB C 33.173 0.161 1 898 112 83 VAL CG1 C 21.448 0.029 2 899 112 83 VAL CG2 C 17.830 0.081 2 900 112 83 VAL N N 112.488 0.037 1 901 113 84 LEU H H 8.345 0.003 1 902 113 84 LEU HA H 4.127 0.006 1 903 113 84 LEU HB2 H 1.585 0.006 2 904 113 84 LEU HB3 H 1.660 0.012 2 905 113 84 LEU HD1 H 0.906 0.013 2 906 113 84 LEU HD2 H 0.883 0.005 2 907 113 84 LEU C C 177.034 0.000 1 908 113 84 LEU CA C 57.140 0.082 1 909 113 84 LEU CB C 42.074 0.052 1 910 113 84 LEU CG C 26.876 0.000 1 911 113 84 LEU CD1 C 24.479 0.026 2 912 113 84 LEU CD2 C 23.959 0.021 2 913 113 84 LEU N N 120.741 0.032 1 914 114 85 ASP H H 8.452 0.004 1 915 114 85 ASP HA H 5.133 0.005 1 916 114 85 ASP HB2 H 2.636 0.004 2 917 114 85 ASP HB3 H 2.592 0.006 2 918 114 85 ASP C C 171.591 0.000 1 919 114 85 ASP CA C 51.534 0.053 1 920 114 85 ASP CB C 40.592 0.061 1 921 114 85 ASP N N 116.896 0.024 1 922 115 86 PRO HA H 4.398 0.004 1 923 115 86 PRO HB2 H 1.741 0.010 2 924 115 86 PRO HB3 H 2.432 0.006 2 925 115 86 PRO HG2 H 2.128 0.005 2 926 115 86 PRO HG3 H 1.899 0.003 2 927 115 86 PRO HD2 H 3.615 0.005 2 928 115 86 PRO HD3 H 3.712 0.005 2 929 115 86 PRO C C 177.495 0.000 1 930 115 86 PRO CA C 63.956 0.095 1 931 115 86 PRO CB C 33.792 0.058 1 932 115 86 PRO CG C 27.551 0.042 1 933 115 86 PRO CD C 50.919 0.065 1 934 116 87 ARG H H 8.537 0.002 1 935 116 87 ARG HA H 5.977 0.006 1 936 116 87 ARG HB2 H 1.399 0.003 2 937 116 87 ARG HB3 H 1.533 0.018 2 938 116 87 ARG HG2 H 1.778 0.011 2 939 116 87 ARG HG3 H 1.778 0.011 2 940 116 87 ARG HD2 H 3.039 0.006 2 941 116 87 ARG HD3 H 3.219 0.003 2 942 116 87 ARG HE H 7.344 0.002 1 943 116 87 ARG C C 175.006 0.003 1 944 116 87 ARG CA C 53.905 0.055 1 945 116 87 ARG CB C 34.794 0.076 1 946 116 87 ARG CG C 27.690 0.132 1 947 116 87 ARG CD C 43.956 0.046 1 948 116 87 ARG N N 121.207 0.023 1 949 116 87 ARG NE N 85.174 0.042 1 950 117 88 CYS H H 9.789 0.005 1 951 117 88 CYS HA H 3.568 0.005 1 952 117 88 CYS HB2 H 1.883 0.007 2 953 117 88 CYS HB3 H 2.538 0.018 2 954 117 88 CYS C C 174.313 0.006 1 955 117 88 CYS CA C 58.219 0.066 1 956 117 88 CYS CB C 29.975 0.051 1 957 117 88 CYS N N 127.129 0.025 1 958 118 89 GLN H H 8.224 0.008 1 959 118 89 GLN HA H 4.040 0.006 1 960 118 89 GLN HB2 H 1.892 0.001 2 961 118 89 GLN HB3 H 1.993 0.006 2 962 118 89 GLN HG2 H 2.290 0.007 2 963 118 89 GLN HG3 H 2.290 0.007 2 964 118 89 GLN HE21 H 7.196 0.002 2 965 118 89 GLN HE22 H 6.839 0.003 2 966 118 89 GLN C C 178.765 0.009 1 967 118 89 GLN CA C 59.180 0.057 1 968 118 89 GLN CB C 28.528 0.053 1 969 118 89 GLN CG C 33.665 0.028 1 970 118 89 GLN N N 116.893 0.031 1 971 118 89 GLN NE2 N 110.935 0.036 1 972 119 90 ILE H H 7.926 0.004 1 973 119 90 ILE HA H 3.831 0.005 1 974 119 90 ILE HB H 1.973 0.004 1 975 119 90 ILE HG12 H 1.348 0.005 2 976 119 90 ILE HG13 H 1.480 0.003 2 977 119 90 ILE HG2 H 0.848 0.003 1 978 119 90 ILE HD1 H 0.762 0.006 1 979 119 90 ILE C C 179.356 0.002 1 980 119 90 ILE CA C 63.813 0.112 1 981 119 90 ILE CB C 36.985 0.057 1 982 119 90 ILE CG1 C 27.821 0.076 1 983 119 90 ILE CG2 C 17.546 0.047 1 984 119 90 ILE CD1 C 11.206 0.036 1 985 119 90 ILE N N 120.290 0.061 1 986 120 91 CYS H H 8.372 0.003 1 987 120 91 CYS HA H 3.752 0.009 1 988 120 91 CYS HB2 H 2.597 0.008 2 989 120 91 CYS HB3 H 2.929 0.006 2 990 120 91 CYS C C 178.627 0.011 1 991 120 91 CYS CA C 65.985 0.060 1 992 120 91 CYS CB C 28.326 0.059 1 993 120 91 CYS N N 126.389 0.020 1 994 121 92 VAL H H 8.657 0.004 1 995 121 92 VAL HA H 3.544 0.005 1 996 121 92 VAL HB H 1.925 0.004 1 997 121 92 VAL HG1 H 0.838 0.003 2 998 121 92 VAL HG2 H 0.769 0.003 2 999 121 92 VAL C C 178.811 0.027 1 1000 121 92 VAL CA C 66.156 0.070 1 1001 121 92 VAL CB C 31.687 0.077 1 1002 121 92 VAL CG1 C 23.087 0.037 2 1003 121 92 VAL CG2 C 21.033 0.025 2 1004 121 92 VAL N N 119.825 0.037 1 1005 122 93 HIS H H 8.019 0.003 1 1006 122 93 HIS HA H 4.458 0.009 1 1007 122 93 HIS HB2 H 3.216 0.015 2 1008 122 93 HIS HB3 H 3.307 0.003 2 1009 122 93 HIS HD2 H 7.208 0.002 1 1010 122 93 HIS C C 175.991 0.007 1 1011 122 93 HIS CA C 57.815 0.055 1 1012 122 93 HIS CB C 28.989 0.096 1 1013 122 93 HIS N N 117.378 0.042 1 1014 123 94 SER H H 7.905 0.004 1 1015 123 94 SER HA H 4.374 0.009 1 1016 123 94 SER HB2 H 3.924 0.008 2 1017 123 94 SER HB3 H 3.924 0.008 2 1018 123 94 SER C C 174.028 0.024 1 1019 123 94 SER CA C 59.110 0.107 1 1020 123 94 SER CB C 63.760 0.142 1 1021 123 94 SER N N 113.902 0.033 1 1022 124 95 GLN H H 7.888 0.002 1 1023 124 95 GLN HA H 4.178 0.014 1 1024 124 95 GLN HB2 H 2.069 0.009 2 1025 124 95 GLN HB3 H 2.123 0.002 2 1026 124 95 GLN HG2 H 2.334 0.010 2 1027 124 95 GLN HG3 H 2.334 0.010 2 1028 124 95 GLN C C 175.336 0.004 1 1029 124 95 GLN CA C 56.213 0.082 1 1030 124 95 GLN CB C 28.103 0.111 1 1031 124 95 GLN CG C 33.782 0.045 1 1032 124 95 GLN N N 120.182 0.020 1 1033 125 96 ARG H H 8.229 0.007 1 1034 125 96 ARG HA H 4.323 0.005 1 1035 125 96 ARG HB2 H 1.671 0.016 2 1036 125 96 ARG HB3 H 1.835 0.008 2 1037 125 96 ARG HD2 H 3.184 0.000 2 1038 125 96 ARG HD3 H 3.184 0.000 2 1039 125 96 ARG C C 175.090 0.012 1 1040 125 96 ARG CA C 56.208 0.068 1 1041 125 96 ARG CB C 30.818 0.077 1 1042 125 96 ARG CG C 26.954 0.000 1 1043 125 96 ARG CD C 43.378 0.000 1 1044 125 96 ARG N N 121.656 0.025 1 1045 126 97 ASN H H 8.090 0.004 1 1046 126 97 ASN HA H 4.455 0.003 1 1047 126 97 ASN HB2 H 2.712 0.004 2 1048 126 97 ASN HB3 H 2.611 0.007 2 1049 126 97 ASN HD21 H 7.498 0.000 2 1050 126 97 ASN HD22 H 7.498 0.000 2 1051 126 97 ASN C C 179.423 0.000 1 1052 126 97 ASN CA C 54.702 0.029 1 1053 126 97 ASN CB C 40.610 0.000 1 1054 126 97 ASN N N 126.029 0.023 1 1055 126 97 ASN ND2 N 112.446 0.019 1 stop_ save_