data_16921 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N chemical shifts for the bacterial cell division regulator MinE. ; _BMRB_accession_number 16921 _BMRB_flat_file_name bmr16921.str _Entry_type original _Submission_date 2010-05-11 _Accession_date 2010-05-11 _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 Ducat Thierry . . 2 Goto Natalie K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 520 "13C chemical shifts" 377 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-10-05 update BMRB 'Update entry citation' 2010-07-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, 15N chemical shift assignments for the Neisseria gonorrhoeae MinE regulator of cell division septum placement.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20623208 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ducat Thierry . . 2 Goto Natalie K. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 4 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 227 _Page_last 229 _Year 2010 _Details . loop_ _Keyword 'bacterial cell division' MinE 'Neisseria gonorrhoeae' 'topological specificity' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MinE dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MinE, chain 1' $MinE 'MinE, chain 2' $MinE stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'MinE, chain 1' 1 'MinE, chain 2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MinE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MinE _Molecular_mass 11048 _Mol_thiol_state 'not present' loop_ _Biological_function 'activator for MinD ATPase' 'regulator of bacterial cell division' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 95 _Mol_residue_sequence ; MSLIELLFGRKQKTATVARD RLQIIIAQERAQEGQTPDYL PTLRKALMEVLSKYVNVSLD NIRISQEKQDGMDVLELNIT LPEQKKVLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 LEU 4 ILE 5 GLU 6 LEU 7 LEU 8 PHE 9 GLY 10 ARG 11 LYS 12 GLN 13 LYS 14 THR 15 ALA 16 THR 17 VAL 18 ALA 19 ARG 20 ASP 21 ARG 22 LEU 23 GLN 24 ILE 25 ILE 26 ILE 27 ALA 28 GLN 29 GLU 30 ARG 31 ALA 32 GLN 33 GLU 34 GLY 35 GLN 36 THR 37 PRO 38 ASP 39 TYR 40 LEU 41 PRO 42 THR 43 LEU 44 ARG 45 LYS 46 ALA 47 LEU 48 MET 49 GLU 50 VAL 51 LEU 52 SER 53 LYS 54 TYR 55 VAL 56 ASN 57 VAL 58 SER 59 LEU 60 ASP 61 ASN 62 ILE 63 ARG 64 ILE 65 SER 66 GLN 67 GLU 68 LYS 69 GLN 70 ASP 71 GLY 72 MET 73 ASP 74 VAL 75 LEU 76 GLU 77 LEU 78 ASN 79 ILE 80 THR 81 LEU 82 PRO 83 GLU 84 GLN 85 LYS 86 LYS 87 VAL 88 LEU 89 GLU 90 HIS 91 HIS 92 HIS 93 HIS 94 HIS 95 HIS 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 2KXO "Solution Nmr Structure Of The Cell Division Regulator Mine Protein From Neisseria Gonorrhoeae" 100.00 95 100.00 100.00 3.05e-61 EMBL CAM07417 "putative cell division topological specificity factor [Neisseria meningitidis Z2491]" 91.58 87 97.70 97.70 4.98e-53 EMBL CEZ97582 "cell division topological specificity factor MinE [Neisseria gonorrhoeae]" 91.58 87 98.85 98.85 1.62e-53 EMBL CFA84494 "cell division topological specificity factor MinE [Neisseria gonorrhoeae]" 91.58 87 98.85 98.85 1.62e-53 EMBL CFB79676 "cell division topological specificity factor MinE [Neisseria gonorrhoeae]" 91.58 87 98.85 98.85 1.62e-53 EMBL CFC32949 "cell division topological specificity factor MinE [Neisseria gonorrhoeae]" 91.58 87 98.85 98.85 1.62e-53 GB AAK30127 "MinE [Neisseria gonorrhoeae]" 91.58 87 98.85 98.85 1.62e-53 GB AAW90432 "cell division topological specificity factor MinE [Neisseria gonorrhoeae FA 1090]" 91.58 87 98.85 98.85 1.62e-53 GB ACF31058 "MinE [Neisseria gonorrhoeae NCCP11945]" 89.47 85 97.65 98.82 1.47e-51 GB AKP11296 "Cell division topological specificity factor [Neisseria gonorrhoeae]" 91.58 87 98.85 98.85 1.62e-53 GB AKP13283 "Cell division topological specificity factor [Neisseria gonorrhoeae]" 91.58 87 98.85 98.85 1.62e-53 REF WP_002246740 "cell division topological specificity factor [Neisseria meningitidis]" 91.58 87 97.70 97.70 4.98e-53 REF WP_003690052 "cell division topological specificity factor [Neisseria gonorrhoeae]" 91.58 87 98.85 98.85 1.62e-53 REF WP_003749826 "MULTISPECIES: cell division topological specificity factor [Neisseria]" 91.58 87 97.70 97.70 9.16e-53 REF YP_208844 "cell division topological specificity factor MinE [Neisseria gonorrhoeae FA 1090]" 91.58 87 98.85 98.85 1.62e-53 SP P58152 "RecName: Full=Cell division topological specificity factor" 91.58 87 98.85 98.85 1.62e-53 SP Q5F5V5 "RecName: Full=Cell division topological specificity factor" 91.58 87 98.85 98.85 1.62e-53 SP Q9JX18 "RecName: Full=Cell division topological specificity factor" 91.58 87 97.70 97.70 4.98e-53 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MinE 'Neisseria gonorrhoeae' 485 Bacteria . Neisseria gonorrhoeae 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 _Details $MinE 'recombinant technology' . Escherichia coli BL21(DE3) pEE46A 'E46A mutant made from pEC1.' 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MinE . mM 0.8 1.0 '[U-100% 13C; U-100% 15N]' 'sodium chloride' 45 mM . . 'natural abundance' TRIS 22.5 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MinE 0.6 mM '[U-100% 13C; U-100% 15N]' 'sodium chloride' 50 mM 'natural abundance' TRIS 25 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details 'University of Ottawa NMR Facility' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details 'Quebec/Eastern Ontario High Field NMR Facility with cryoprobe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details 'Quebec/Eastern Ontario High Field NMR Facility with cryoprobe' 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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY-HSQC' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'H2O/D2O sample' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.045 . M pH 7.2 . pH pressure 1 . atm temperature 298 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details 'D2O sample' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.050 . M pH 7.2 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' '3D CBCA(CO)NH' '3D HNCO' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D 1H-15N TOCSY-HSQC' '3D CCH-TOCSY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'MinE, chain 1' _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 1 1 MET HA H 3.9390 0.02 1 2 1 1 MET HB2 H 1.9940 0.02 2 3 1 1 MET HB3 H 1.9940 0.02 2 4 1 1 MET HE H 2.0280 0.02 1 5 1 1 MET HG2 H 2.5830 0.02 2 6 1 1 MET HG3 H 2.5010 0.02 2 7 1 1 MET CA C 55.4520 0.20 1 8 1 1 MET CB C 34.6770 0.20 1 9 1 1 MET CE C 16.9000 0.20 1 10 1 1 MET CG C 31.2040 0.20 1 11 2 2 SER C C 175.9540 0.20 1 12 2 2 SER CA C 57.2280 0.20 1 13 2 2 SER CB C 64.3750 0.20 1 14 3 3 LEU H H 9.6250 0.02 1 15 3 3 LEU HA H 3.9960 0.02 1 16 3 3 LEU HB2 H 1.6230 0.02 2 17 3 3 LEU HB3 H 1.3730 0.02 2 18 3 3 LEU HG H 1.6740 0.02 1 19 3 3 LEU C C 179.0530 0.20 1 20 3 3 LEU CA C 58.1110 0.20 1 21 3 3 LEU CB C 41.8360 0.20 1 22 3 3 LEU CG C 28.7600 0.20 1 23 3 3 LEU N N 124.7520 0.20 1 24 4 4 ILE H H 8.3940 0.02 1 25 4 4 ILE HA H 3.6320 0.02 1 26 4 4 ILE HB H 1.7390 0.02 1 27 4 4 ILE HD1 H 0.7430 0.02 1 28 4 4 ILE HG12 H 1.1680 0.02 1 29 4 4 ILE HG13 H 1.6250 0.02 2 30 4 4 ILE HG2 H 0.8030 0.02 1 31 4 4 ILE C C 177.6270 0.20 1 32 4 4 ILE CA C 65.1150 0.20 1 33 4 4 ILE CB C 37.2120 0.20 1 34 4 4 ILE CD1 C 13.1740 0.20 1 35 4 4 ILE CG1 C 29.9320 0.20 1 36 4 4 ILE CG2 C 17.3930 0.20 1 37 4 4 ILE N N 118.5010 0.20 1 38 5 5 GLU H H 7.6730 0.02 1 39 5 5 GLU HA H 3.9140 0.02 1 40 5 5 GLU HB2 H 2.1010 0.02 2 41 5 5 GLU HB3 H 1.9670 0.02 2 42 5 5 GLU HG2 H 2.2360 0.02 2 43 5 5 GLU HG3 H 2.2360 0.02 2 44 5 5 GLU C C 179.3490 0.20 1 45 5 5 GLU CA C 59.3110 0.20 1 46 5 5 GLU CB C 29.6500 0.20 1 47 5 5 GLU CG C 37.0800 0.20 1 48 5 5 GLU N N 119.7850 0.20 1 49 6 6 LEU H H 7.9780 0.02 1 50 6 6 LEU HA H 4.0140 0.02 1 51 6 6 LEU HB2 H 1.7180 0.02 2 52 6 6 LEU HB3 H 1.5800 0.02 2 53 6 6 LEU C C 178.6840 0.20 1 54 6 6 LEU CA C 57.9310 0.20 1 55 6 6 LEU CB C 42.6880 0.20 1 56 6 6 LEU N N 120.6140 0.20 1 57 7 7 LEU H H 8.2110 0.02 1 58 7 7 LEU HA H 3.8910 0.02 1 59 7 7 LEU HB2 H 1.4720 0.02 2 60 7 7 LEU HB3 H 0.8680 0.02 2 61 7 7 LEU HD1 H 0.5700 0.02 2 62 7 7 LEU HD2 H 0.6030 0.02 2 63 7 7 LEU HG H 1.5690 0.02 1 64 7 7 LEU C C 179.5460 0.20 1 65 7 7 LEU CA C 56.7860 0.20 1 66 7 7 LEU CB C 41.6750 0.20 1 67 7 7 LEU CD1 C 22.4500 0.20 1 68 7 7 LEU CD2 C 25.8500 0.20 1 69 7 7 LEU CG C 26.8860 0.20 1 70 7 7 LEU N N 117.3110 0.20 1 71 8 8 PHE H H 8.3720 0.02 1 72 8 8 PHE HA H 4.5630 0.02 1 73 8 8 PHE HB2 H 3.0600 0.02 2 74 8 8 PHE HB3 H 3.2230 0.02 2 75 8 8 PHE HD1 H 7.2490 0.02 3 76 8 8 PHE HD2 H 7.2490 0.02 3 77 8 8 PHE HE1 H 7.1690 0.02 3 78 8 8 PHE HE2 H 7.1690 0.02 3 79 8 8 PHE HZ H 7.2830 0.02 1 80 8 8 PHE C C 177.5910 0.20 1 81 8 8 PHE CA C 59.0980 0.20 1 82 8 8 PHE CB C 39.0980 0.20 1 83 8 8 PHE N N 117.7150 0.20 1 84 9 9 GLY H H 7.9760 0.02 1 85 9 9 GLY HA2 H 4.0020 0.02 2 86 9 9 GLY HA3 H 3.9650 0.02 2 87 9 9 GLY C C 174.6150 0.20 1 88 9 9 GLY CA C 46.2090 0.20 1 89 9 9 GLY N N 108.2410 0.20 1 90 10 10 ARG H H 7.8480 0.02 1 91 10 10 ARG HA H 4.2850 0.02 1 92 10 10 ARG C C 176.0230 0.20 1 93 10 10 ARG CA C 56.5010 0.20 1 94 10 10 ARG CB C 30.4900 0.20 1 95 10 10 ARG N N 119.2620 0.20 1 96 11 11 LYS H H 7.9510 0.02 1 97 11 11 LYS HA H 4.2110 0.02 1 98 11 11 LYS CA C 56.7440 0.20 1 99 11 11 LYS CB C 32.9030 0.20 1 100 11 11 LYS N N 121.3410 0.20 1 101 12 12 GLN H H 8.3370 0.02 1 102 12 12 GLN HA H 4.2700 0.02 1 103 12 12 GLN HE21 H 7.4960 0.02 2 104 12 12 GLN HE22 H 6.8570 0.02 2 105 12 12 GLN C C 176.6870 0.20 1 106 12 12 GLN CA C 56.1770 0.20 1 107 12 12 GLN CB C 29.6060 0.20 1 108 12 12 GLN N N 120.8640 0.20 1 109 12 12 GLN NE2 N 112.6590 0.20 1 110 14 14 THR C C 174.0540 0.20 1 111 14 14 THR CA C 61.4300 0.20 1 112 15 15 ALA H H 8.2790 0.02 1 113 15 15 ALA HA H 4.3810 0.02 1 114 15 15 ALA HB H 1.4080 0.02 1 115 15 15 ALA C C 177.5890 0.20 1 116 15 15 ALA CA C 52.5800 0.20 1 117 15 15 ALA CB C 19.1660 0.20 1 118 15 15 ALA N N 125.7760 0.20 1 119 16 16 THR H H 8.0740 0.02 1 120 16 16 THR HA H 4.3300 0.02 1 121 16 16 THR HB H 4.1600 0.02 1 122 16 16 THR HG2 H 1.1780 0.02 1 123 16 16 THR C C 174.3190 0.20 1 124 16 16 THR CA C 61.7970 0.20 1 125 16 16 THR CB C 69.9650 0.20 1 126 16 16 THR CG2 C 21.5650 0.20 1 127 16 16 THR N N 113.7490 0.20 1 128 17 17 VAL H H 8.0800 0.02 1 129 17 17 VAL HA H 4.1040 0.02 1 130 17 17 VAL HB H 2.0390 0.02 1 131 17 17 VAL HG1 H 0.9150 0.02 2 132 17 17 VAL HG2 H 0.9270 0.02 2 133 17 17 VAL C C 175.4460 0.20 1 134 17 17 VAL CA C 61.9840 0.20 1 135 17 17 VAL CB C 32.8960 0.20 1 136 17 17 VAL CG1 C 21.2270 0.20 1 137 17 17 VAL CG2 C 20.4530 0.20 1 138 17 17 VAL N N 122.3890 0.20 1 139 18 18 ALA H H 8.4540 0.02 1 140 18 18 ALA HA H 4.3520 0.02 1 141 18 18 ALA HB H 1.3940 0.02 1 142 18 18 ALA C C 176.8740 0.20 1 143 18 18 ALA CA C 52.5390 0.20 1 144 18 18 ALA CB C 19.4450 0.20 1 145 18 18 ALA N N 128.9600 0.20 1 146 19 19 ARG H H 8.0030 0.02 1 147 19 19 ARG HA H 4.4520 0.02 1 148 19 19 ARG HB2 H 1.6480 0.02 2 149 19 19 ARG HB3 H 1.9190 0.02 2 150 19 19 ARG HD2 H 3.2270 0.02 2 151 19 19 ARG HD3 H 3.2270 0.02 2 152 19 19 ARG HG2 H 1.6160 0.02 2 153 19 19 ARG HG3 H 1.6160 0.02 2 154 19 19 ARG C C 174.6690 0.20 1 155 19 19 ARG CA C 54.6180 0.20 1 156 19 19 ARG CB C 32.5030 0.20 1 157 19 19 ARG CD C 42.8230 0.20 1 158 19 19 ARG CG C 26.7680 0.20 1 159 19 19 ARG N N 120.2540 0.20 1 160 20 20 ASP H H 8.3620 0.02 1 161 20 20 ASP HA H 5.1060 0.02 1 162 20 20 ASP HB2 H 2.7300 0.02 2 163 20 20 ASP HB3 H 2.8230 0.02 2 164 20 20 ASP C C 175.7320 0.20 1 165 20 20 ASP CA C 54.5530 0.20 1 166 20 20 ASP CB C 41.6870 0.20 1 167 20 20 ASP N N 121.6960 0.20 1 168 21 21 ARG H H 8.7700 0.02 1 169 21 21 ARG HA H 5.2300 0.02 1 170 21 21 ARG HB2 H 1.8380 0.02 2 171 21 21 ARG HB3 H 1.8940 0.02 2 172 21 21 ARG HD2 H 3.1450 0.02 2 173 21 21 ARG HD3 H 3.1450 0.02 2 174 21 21 ARG HG2 H 1.5100 0.02 2 175 21 21 ARG HG3 H 1.6700 0.02 2 176 21 21 ARG C C 174.0320 0.20 1 177 21 21 ARG CA C 55.4190 0.20 1 178 21 21 ARG CB C 34.5040 0.20 1 179 21 21 ARG CG C 27.1190 0.20 1 180 21 21 ARG N N 119.8070 0.20 1 181 22 22 LEU H H 8.8020 0.02 1 182 22 22 LEU HA H 5.4960 0.02 1 183 22 22 LEU HB2 H 1.5600 0.02 2 184 22 22 LEU HB3 H 1.3990 0.02 2 185 22 22 LEU HD1 H 0.8550 0.02 2 186 22 22 LEU HD2 H 0.7200 0.02 2 187 22 22 LEU HG H 1.6010 0.02 1 188 22 22 LEU C C 174.9810 0.20 1 189 22 22 LEU CA C 53.4950 0.20 1 190 22 22 LEU CB C 47.4150 0.20 1 191 22 22 LEU CD1 C 24.7770 0.20 1 192 22 22 LEU CD2 C 25.4790 0.20 1 193 22 22 LEU CG C 27.3540 0.20 1 194 22 22 LEU N N 120.4040 0.20 1 195 23 23 GLN H H 9.4540 0.02 1 196 23 23 GLN HA H 5.2880 0.02 1 197 23 23 GLN HB2 H 1.8320 0.02 2 198 23 23 GLN HB3 H 2.1060 0.02 2 199 23 23 GLN HE21 H 7.6850 0.02 2 200 23 23 GLN HE22 H 6.2700 0.02 2 201 23 23 GLN HG2 H 2.0020 0.02 2 202 23 23 GLN HG3 H 2.3010 0.02 2 203 23 23 GLN C C 173.8470 0.20 1 204 23 23 GLN CA C 54.7970 0.20 1 205 23 23 GLN CB C 32.8390 0.20 1 206 23 23 GLN CG C 33.4730 0.20 1 207 23 23 GLN N N 126.0890 0.20 1 208 23 23 GLN NE2 N 109.1350 0.20 1 209 24 24 ILE H H 9.1680 0.02 1 210 24 24 ILE HA H 5.2520 0.02 1 211 24 24 ILE HB H 1.7690 0.02 1 212 24 24 ILE HD1 H 0.8410 0.02 1 213 24 24 ILE HG12 H 1.1370 0.02 2 214 24 24 ILE HG13 H 1.6200 0.02 2 215 24 24 ILE HG2 H 0.8130 0.02 1 216 24 24 ILE C C 174.0630 0.20 1 217 24 24 ILE CA C 59.7600 0.20 1 218 24 24 ILE CB C 41.2300 0.20 1 219 24 24 ILE CD1 C 14.8150 0.20 1 220 24 24 ILE CG1 C 29.9570 0.20 1 221 24 24 ILE CG2 C 17.0420 0.20 1 222 24 24 ILE N N 124.9090 0.20 1 223 25 25 ILE H H 9.6190 0.02 1 224 25 25 ILE HA H 5.0640 0.02 1 225 25 25 ILE HB H 1.6820 0.02 1 226 25 25 ILE HD1 H 0.7330 0.02 1 227 25 25 ILE HG12 H 0.9590 0.02 2 228 25 25 ILE HG13 H 1.4940 0.02 2 229 25 25 ILE HG2 H 0.7700 0.02 1 230 25 25 ILE C C 174.5690 0.20 1 231 25 25 ILE CA C 59.6050 0.20 1 232 25 25 ILE CB C 41.6630 0.20 1 233 25 25 ILE CD1 C 14.2290 0.20 1 234 25 25 ILE CG1 C 28.2910 0.20 1 235 25 25 ILE CG2 C 18.2130 0.20 1 236 25 25 ILE N N 128.0540 0.20 1 237 26 26 ILE H H 9.4200 0.02 1 238 26 26 ILE HA H 4.8780 0.02 1 239 26 26 ILE HB H 1.8140 0.02 1 240 26 26 ILE HD1 H 0.7280 0.02 1 241 26 26 ILE HG12 H 1.5840 0.02 2 242 26 26 ILE HG13 H 0.9610 0.02 2 243 26 26 ILE HG2 H 0.7940 0.02 1 244 26 26 ILE C C 173.2120 0.20 1 245 26 26 ILE CA C 60.3890 0.20 1 246 26 26 ILE CB C 40.3840 0.20 1 247 26 26 ILE CD1 C 14.2290 0.20 1 248 26 26 ILE CG1 C 27.2360 0.20 1 249 26 26 ILE CG2 C 18.5650 0.20 1 250 26 26 ILE N N 125.7080 0.20 1 251 27 27 ALA H H 9.4950 0.02 1 252 27 27 ALA HA H 5.6200 0.02 1 253 27 27 ALA HB H 1.3140 0.02 1 254 27 27 ALA C C 175.2940 0.20 1 255 27 27 ALA CA C 49.8590 0.20 1 256 27 27 ALA CB C 23.0120 0.20 1 257 27 27 ALA N N 129.0160 0.20 1 258 28 28 GLN H H 9.3620 0.02 1 259 28 28 GLN HA H 5.2900 0.02 1 260 28 28 GLN HB2 H 2.2130 0.02 2 261 28 28 GLN HB3 H 1.9160 0.02 2 262 28 28 GLN HE21 H 7.7470 0.02 2 263 28 28 GLN HE22 H 7.3410 0.02 2 264 28 28 GLN C C 173.6610 0.20 1 265 28 28 GLN CA C 54.5750 0.20 1 266 28 28 GLN CB C 34.2080 0.20 1 267 28 28 GLN N N 123.6580 0.20 1 268 28 28 GLN NE2 N 107.7650 0.20 1 269 29 29 GLU H H 8.9390 0.02 1 270 29 29 GLU HA H 5.0900 0.02 1 271 29 29 GLU HB2 H 2.1420 0.02 2 272 29 29 GLU HB3 H 1.7840 0.02 2 273 29 29 GLU C C 174.8330 0.20 1 274 29 29 GLU CA C 54.9490 0.20 1 275 29 29 GLU CB C 32.8840 0.20 1 276 29 29 GLU N N 129.0680 0.20 1 277 30 30 ARG H H 8.4290 0.02 1 278 30 30 ARG HA H 4.9350 0.02 1 279 30 30 ARG HB2 H 1.6990 0.02 2 280 30 30 ARG HB3 H 1.7550 0.02 2 281 30 30 ARG HD2 H 3.1390 0.02 2 282 30 30 ARG HD3 H 3.1390 0.02 2 283 30 30 ARG HG2 H 1.5480 0.02 2 284 30 30 ARG HG3 H 1.6130 0.02 2 285 30 30 ARG C C 175.7810 0.20 1 286 30 30 ARG CA C 54.1700 0.20 1 287 30 30 ARG CB C 33.7370 0.20 1 288 30 30 ARG CG C 27.1190 0.20 1 289 30 30 ARG N N 123.9360 0.20 1 290 31 31 ALA H H 8.8160 0.02 1 291 31 31 ALA HA H 4.2380 0.02 1 292 31 31 ALA HB H 1.4210 0.02 1 293 31 31 ALA C C 178.8130 0.20 1 294 31 31 ALA CA C 52.5100 0.20 1 295 31 31 ALA CB C 19.1630 0.20 1 296 31 31 ALA N N 126.7380 0.20 1 297 32 32 GLN H H 8.7860 0.02 1 298 32 32 GLN HA H 4.2110 0.02 1 299 32 32 GLN HB2 H 2.0960 0.02 2 300 32 32 GLN HB3 H 2.0460 0.02 2 301 32 32 GLN HE21 H 7.6080 0.02 2 302 32 32 GLN HE22 H 6.8990 0.02 2 303 32 32 GLN HG2 H 2.3820 0.02 2 304 32 32 GLN HG3 H 2.3820 0.02 2 305 32 32 GLN C C 176.5270 0.20 1 306 32 32 GLN CA C 57.2180 0.20 1 307 32 32 GLN CB C 29.4290 0.20 1 308 32 32 GLN CG C 34.0340 0.20 1 309 32 32 GLN N N 121.1120 0.20 1 310 32 32 GLN NE2 N 112.2670 0.20 1 311 33 33 GLU H H 8.7710 0.02 1 312 33 33 GLU HA H 4.2450 0.02 1 313 33 33 GLU HB2 H 2.1060 0.02 2 314 33 33 GLU HB3 H 1.9960 0.02 2 315 33 33 GLU HG2 H 2.2440 0.02 2 316 33 33 GLU HG3 H 2.2440 0.02 2 317 33 33 GLU C C 176.8780 0.20 1 318 33 33 GLU CA C 57.1150 0.20 1 319 33 33 GLU CB C 29.1740 0.20 1 320 33 33 GLU CG C 36.3770 0.20 1 321 33 33 GLU N N 119.0630 0.20 1 322 34 34 GLY H H 7.9690 0.02 1 323 34 34 GLY HA2 H 4.1160 0.02 2 324 34 34 GLY HA3 H 4.0760 0.02 2 325 34 34 GLY C C 174.3300 0.20 1 326 34 34 GLY CA C 45.4460 0.20 1 327 34 34 GLY N N 107.9960 0.20 1 328 35 35 GLN H H 8.3350 0.02 1 329 35 35 GLN HA H 4.4370 0.02 1 330 35 35 GLN HB2 H 1.9330 0.02 2 331 35 35 GLN HB3 H 2.2590 0.02 2 332 35 35 GLN HE21 H 7.5120 0.02 2 333 35 35 GLN HE22 H 6.8190 0.02 2 334 35 35 GLN HG2 H 2.3060 0.02 2 335 35 35 GLN HG3 H 2.3060 0.02 2 336 35 35 GLN C C 175.8820 0.20 1 337 35 35 GLN CA C 55.6260 0.20 1 338 35 35 GLN CB C 29.6520 0.20 1 339 35 35 GLN CG C 33.9160 0.20 1 340 35 35 GLN N N 116.9250 0.20 1 341 35 35 GLN NE2 N 112.4630 0.20 1 342 36 36 THR H H 8.0320 0.02 1 343 36 36 THR HA H 4.3540 0.02 1 344 36 36 THR HB H 4.2470 0.02 1 345 36 36 THR HG2 H 1.1840 0.02 1 346 36 36 THR CA C 61.4300 0.20 1 347 36 36 THR CB C 69.9610 0.20 1 348 36 36 THR CG2 C 21.5270 0.20 1 349 36 36 THR N N 118.9110 0.20 1 350 37 37 PRO HA H 4.1780 0.02 1 351 37 37 PRO HB2 H 1.0840 0.02 2 352 37 37 PRO HB3 H 1.9620 0.02 2 353 37 37 PRO HD2 H 3.8910 0.02 2 354 37 37 PRO HD3 H 3.6550 0.02 2 355 37 37 PRO HG2 H 1.7000 0.02 2 356 37 37 PRO HG3 H 1.8090 0.02 2 357 37 37 PRO C C 173.1840 0.20 1 358 37 37 PRO CA C 62.6020 0.20 1 359 37 37 PRO CB C 32.0430 0.20 1 360 37 37 PRO CD C 51.2600 0.20 1 361 37 37 PRO CG C 27.0030 0.20 1 362 38 38 ASP H H 7.9020 0.02 1 363 38 38 ASP HA H 4.4270 0.02 1 364 38 38 ASP HB2 H 2.4350 0.02 2 365 38 38 ASP HB3 H 2.6920 0.02 2 366 38 38 ASP C C 177.6060 0.20 1 367 38 38 ASP CA C 52.7390 0.20 1 368 38 38 ASP CB C 40.7920 0.20 1 369 38 38 ASP N N 116.4950 0.20 1 370 39 39 TYR H H 9.6850 0.02 1 371 39 39 TYR HA H 4.4300 0.02 1 372 39 39 TYR HB2 H 2.7040 0.02 2 373 39 39 TYR HB3 H 2.9920 0.02 2 374 39 39 TYR HD1 H 7.0310 0.02 3 375 39 39 TYR HD2 H 7.0310 0.02 3 376 39 39 TYR HE1 H 6.8000 0.02 3 377 39 39 TYR HE2 H 6.8000 0.02 3 378 39 39 TYR C C 176.7050 0.20 1 379 39 39 TYR CA C 59.9520 0.20 1 380 39 39 TYR CB C 39.3240 0.20 1 381 39 39 TYR N N 126.2970 0.20 1 382 40 40 LEU H H 8.5820 0.02 1 383 40 40 LEU HA H 3.9760 0.02 1 384 40 40 LEU HB2 H 2.1570 0.02 2 385 40 40 LEU HB3 H 1.5300 0.02 2 386 40 40 LEU HD1 H 0.8900 0.02 2 387 40 40 LEU HD2 H 0.7870 0.02 2 388 40 40 LEU HG H 1.7260 0.02 1 389 40 40 LEU CA C 60.9250 0.20 1 390 40 40 LEU CB C 38.4160 0.20 1 391 40 40 LEU CD1 C 25.4790 0.20 1 392 40 40 LEU CD2 C 24.6590 0.20 1 393 40 40 LEU CG C 28.8770 0.20 1 394 40 40 LEU N N 122.3770 0.20 1 395 41 41 PRO HA H 4.1480 0.02 1 396 41 41 PRO HB2 H 1.8350 0.02 2 397 41 41 PRO HB3 H 2.3050 0.02 2 398 41 41 PRO HD2 H 3.7110 0.02 2 399 41 41 PRO HD3 H 3.3470 0.02 2 400 41 41 PRO HG2 H 2.0300 0.02 2 401 41 41 PRO HG3 H 1.8600 0.02 2 402 41 41 PRO C C 179.9150 0.20 1 403 41 41 PRO CA C 66.5310 0.20 1 404 41 41 PRO CB C 31.1310 0.20 1 405 41 41 PRO CD C 50.2060 0.20 1 406 41 41 PRO CG C 28.6430 0.20 1 407 42 42 THR H H 7.3760 0.02 1 408 42 42 THR HA H 3.7850 0.02 1 409 42 42 THR HB H 4.0940 0.02 1 410 42 42 THR HG2 H 0.9090 0.02 1 411 42 42 THR C C 176.4300 0.20 1 412 42 42 THR CA C 66.1320 0.20 1 413 42 42 THR CB C 68.8070 0.20 1 414 42 42 THR CG2 C 21.3780 0.20 1 415 42 42 THR N N 114.2550 0.20 1 416 43 43 LEU H H 8.3670 0.02 1 417 43 43 LEU HA H 3.8700 0.02 1 418 43 43 LEU HB2 H 1.1700 0.02 2 419 43 43 LEU HB3 H 1.9260 0.02 2 420 43 43 LEU HD1 H 0.6490 0.02 2 421 43 43 LEU HD2 H 0.7440 0.02 2 422 43 43 LEU HG H 1.8260 0.02 1 423 43 43 LEU C C 177.8760 0.20 1 424 43 43 LEU CA C 57.7820 0.20 1 425 43 43 LEU CB C 41.4330 0.20 1 426 43 43 LEU CD1 C 22.6440 0.20 1 427 43 43 LEU CD2 C 26.3000 0.20 1 428 43 43 LEU CG C 27.0030 0.20 1 429 43 43 LEU N N 121.6390 0.20 1 430 44 44 ARG H H 9.0290 0.02 1 431 44 44 ARG HA H 3.5780 0.02 1 432 44 44 ARG HB2 H 1.9360 0.02 2 433 44 44 ARG HB3 H 1.7450 0.02 2 434 44 44 ARG HD2 H 3.1490 0.02 2 435 44 44 ARG HD3 H 3.1140 0.02 2 436 44 44 ARG HG2 H 1.5640 0.02 2 437 44 44 ARG HG3 H 1.3610 0.02 2 438 44 44 ARG C C 177.0760 0.20 1 439 44 44 ARG CA C 60.4680 0.20 1 440 44 44 ARG CB C 30.1260 0.20 1 441 44 44 ARG CD C 43.6560 0.20 1 442 44 44 ARG CG C 27.0270 0.20 1 443 44 44 ARG N N 119.9350 0.20 1 444 45 45 LYS H H 7.3810 0.02 1 445 45 45 LYS HA H 3.9360 0.02 1 446 45 45 LYS HB2 H 1.8680 0.02 2 447 45 45 LYS HB3 H 1.8680 0.02 2 448 45 45 LYS HD2 H 1.6670 0.02 2 449 45 45 LYS HD3 H 1.6670 0.02 2 450 45 45 LYS HE2 H 2.9530 0.02 2 451 45 45 LYS HE3 H 2.9530 0.02 2 452 45 45 LYS HG2 H 1.3640 0.02 2 453 45 45 LYS HG3 H 1.5060 0.02 2 454 45 45 LYS C C 179.1470 0.20 1 455 45 45 LYS CA C 59.6210 0.20 1 456 45 45 LYS CB C 32.5300 0.20 1 457 45 45 LYS CD C 29.4770 0.20 1 458 45 45 LYS CE C 41.9800 0.20 1 459 45 45 LYS CG C 24.8930 0.20 1 460 45 45 LYS N N 117.4650 0.20 1 461 46 46 ALA H H 7.8930 0.02 1 462 46 46 ALA HA H 4.1930 0.02 1 463 46 46 ALA HB H 1.3650 0.02 1 464 46 46 ALA C C 180.6890 0.20 1 465 46 46 ALA CA C 54.6320 0.20 1 466 46 46 ALA CB C 19.1180 0.20 1 467 46 46 ALA N N 120.3460 0.20 1 468 47 47 LEU H H 8.7290 0.02 1 469 47 47 LEU HA H 3.9950 0.02 1 470 47 47 LEU HB2 H 1.9030 0.02 2 471 47 47 LEU HB3 H 1.4030 0.02 2 472 47 47 LEU HD1 H 0.8200 0.02 2 473 47 47 LEU HD2 H 0.8200 0.02 2 474 47 47 LEU HG H 1.7380 0.02 1 475 47 47 LEU C C 178.7000 0.20 1 476 47 47 LEU CA C 57.1780 0.20 1 477 47 47 LEU CB C 41.1010 0.20 1 478 47 47 LEU CD1 C 23.9560 0.20 1 479 47 47 LEU CD2 C 24.8930 0.20 1 480 47 47 LEU CG C 27.4710 0.20 1 481 47 47 LEU N N 118.0450 0.20 1 482 48 48 MET H H 8.1500 0.02 1 483 48 48 MET HA H 4.2200 0.02 1 484 48 48 MET HB2 H 2.0750 0.02 2 485 48 48 MET HB3 H 2.2560 0.02 2 486 48 48 MET HE H 2.0070 0.02 1 487 48 48 MET HG2 H 2.7100 0.02 2 488 48 48 MET HG3 H 2.7990 0.02 2 489 48 48 MET C C 179.2200 0.20 1 490 48 48 MET CA C 58.1670 0.20 1 491 48 48 MET CB C 30.5600 0.20 1 492 48 48 MET CE C 16.8850 0.20 1 493 48 48 MET CG C 32.5380 0.20 1 494 48 48 MET N N 117.8830 0.20 1 495 49 49 GLU H H 7.5920 0.02 1 496 49 49 GLU HA H 4.1010 0.02 1 497 49 49 GLU HB2 H 2.2380 0.02 2 498 49 49 GLU HB3 H 2.1290 0.02 2 499 49 49 GLU HG2 H 2.2370 0.02 2 500 49 49 GLU HG3 H 2.4350 0.02 2 501 49 49 GLU C C 179.0730 0.20 1 502 49 49 GLU CA C 59.4740 0.20 1 503 49 49 GLU CB C 29.3480 0.20 1 504 49 49 GLU CG C 36.3530 0.20 1 505 49 49 GLU N N 119.7130 0.20 1 506 50 50 VAL H H 7.9130 0.02 1 507 50 50 VAL HA H 3.8610 0.02 1 508 50 50 VAL HB H 2.3330 0.02 1 509 50 50 VAL HG1 H 0.9520 0.02 2 510 50 50 VAL HG2 H 1.1450 0.02 2 511 50 50 VAL C C 178.1610 0.20 1 512 50 50 VAL CA C 66.1020 0.20 1 513 50 50 VAL CB C 32.1180 0.20 1 514 50 50 VAL CG1 C 21.9390 0.20 1 515 50 50 VAL CG2 C 23.1510 0.20 1 516 50 50 VAL N N 119.4590 0.20 1 517 51 51 LEU H H 8.6780 0.02 1 518 51 51 LEU HA H 3.8910 0.02 1 519 51 51 LEU HB2 H 1.9440 0.02 2 520 51 51 LEU HB3 H 1.1660 0.02 2 521 51 51 LEU HD1 H 0.6490 0.02 2 522 51 51 LEU HD2 H 0.7440 0.02 2 523 51 51 LEU HG H 1.8260 0.02 1 524 51 51 LEU C C 178.8530 0.20 1 525 51 51 LEU CA C 58.1050 0.20 1 526 51 51 LEU CB C 41.3540 0.20 1 527 51 51 LEU CD1 C 22.6440 0.20 1 528 51 51 LEU CD2 C 26.3000 0.20 1 529 51 51 LEU CG C 27.0030 0.20 1 530 51 51 LEU N N 119.6630 0.20 1 531 52 52 SER H H 7.9360 0.02 1 532 52 52 SER HA H 4.3760 0.02 1 533 52 52 SER HB2 H 4.0040 0.02 2 534 52 52 SER HB3 H 3.9690 0.02 2 535 52 52 SER C C 176.0130 0.20 1 536 52 52 SER CA C 61.4450 0.20 1 537 52 52 SER CB C 63.0970 0.20 1 538 52 52 SER N N 113.2700 0.20 1 539 53 53 LYS H H 7.7140 0.02 1 540 53 53 LYS HA H 4.0140 0.02 1 541 53 53 LYS HB2 H 1.6070 0.02 2 542 53 53 LYS HB3 H 1.3730 0.02 2 543 53 53 LYS HD2 H 1.4800 0.02 2 544 53 53 LYS HD3 H 1.4180 0.02 2 545 53 53 LYS HE2 H 2.8020 0.02 2 546 53 53 LYS HE3 H 2.8020 0.02 2 547 53 53 LYS HG2 H 0.7030 0.02 2 548 53 53 LYS HG3 H 1.1480 0.02 2 549 53 53 LYS C C 178.0040 0.20 1 550 53 53 LYS CA C 58.5990 0.20 1 551 53 53 LYS CB C 33.1930 0.20 1 552 53 53 LYS CD C 29.1110 0.20 1 553 53 53 LYS CE C 41.9800 0.20 1 554 53 53 LYS CG C 24.7760 0.20 1 555 53 53 LYS N N 118.7390 0.20 1 556 54 54 TYR H H 8.0670 0.02 1 557 54 54 TYR HA H 4.7020 0.02 1 558 54 54 TYR HB2 H 2.6900 0.02 2 559 54 54 TYR HB3 H 3.1790 0.02 2 560 54 54 TYR HD1 H 7.2830 0.02 3 561 54 54 TYR HD2 H 7.2830 0.02 3 562 54 54 TYR HE1 H 6.8150 0.02 3 563 54 54 TYR HE2 H 6.8150 0.02 3 564 54 54 TYR C C 175.9100 0.20 1 565 54 54 TYR CA C 59.6570 0.20 1 566 54 54 TYR CB C 39.7260 0.20 1 567 54 54 TYR N N 113.4040 0.20 1 568 55 55 VAL H H 7.8630 0.02 1 569 55 55 VAL HA H 4.1150 0.02 1 570 55 55 VAL HB H 2.1460 0.02 1 571 55 55 VAL HG1 H 0.5270 0.02 2 572 55 55 VAL HG2 H 0.5020 0.02 2 573 55 55 VAL C C 174.7020 0.20 1 574 55 55 VAL CA C 61.5130 0.20 1 575 55 55 VAL CB C 32.2700 0.20 1 576 55 55 VAL CG1 C 21.4880 0.20 1 577 55 55 VAL CG2 C 21.6980 0.20 1 578 55 55 VAL N N 117.7490 0.20 1 579 56 56 ASN H H 7.7940 0.02 1 580 56 56 ASN HA H 4.5970 0.02 1 581 56 56 ASN HB2 H 2.6620 0.02 2 582 56 56 ASN HB3 H 3.0710 0.02 2 583 56 56 ASN HD21 H 7.5010 0.02 2 584 56 56 ASN HD22 H 6.7570 0.02 2 585 56 56 ASN C C 174.2710 0.20 1 586 56 56 ASN CA C 53.8910 0.20 1 587 56 56 ASN CB C 37.1780 0.20 1 588 56 56 ASN N N 117.7780 0.20 1 589 56 56 ASN ND2 N 111.4010 0.20 1 590 57 57 VAL H H 7.3760 0.02 1 591 57 57 VAL HA H 4.4300 0.02 1 592 57 57 VAL HB H 1.9670 0.02 1 593 57 57 VAL HG1 H 0.7800 0.02 2 594 57 57 VAL HG2 H 0.8190 0.02 2 595 57 57 VAL C C 174.7670 0.20 1 596 57 57 VAL CA C 60.0440 0.20 1 597 57 57 VAL CB C 34.0670 0.20 1 598 57 57 VAL CG1 C 20.3230 0.20 1 599 57 57 VAL CG2 C 21.6120 0.20 1 600 57 57 VAL N N 114.9520 0.20 1 601 58 58 SER H H 8.5390 0.02 1 602 58 58 SER HA H 4.5240 0.02 1 603 58 58 SER HB2 H 4.0750 0.02 2 604 58 58 SER HB3 H 3.8720 0.02 2 605 58 58 SER C C 174.5400 0.20 1 606 58 58 SER CA C 57.2960 0.20 1 607 58 58 SER CB C 64.3860 0.20 1 608 58 58 SER N N 119.2570 0.20 1 609 59 59 LEU H H 8.6060 0.02 1 610 59 59 LEU HA H 4.0030 0.02 1 611 59 59 LEU HB2 H 1.7520 0.02 2 612 59 59 LEU HB3 H 1.6140 0.02 2 613 59 59 LEU HD1 H 0.9530 0.02 2 614 59 59 LEU HD2 H 0.8780 0.02 2 615 59 59 LEU HG H 1.7780 0.02 1 616 59 59 LEU C C 178.4460 0.20 1 617 59 59 LEU CA C 57.7550 0.20 1 618 59 59 LEU CB C 41.3740 0.20 1 619 59 59 LEU CD1 C 24.9600 0.20 1 620 59 59 LEU CD2 C 23.6450 0.20 1 621 59 59 LEU CG C 27.1650 0.20 1 622 59 59 LEU N N 123.3170 0.20 1 623 60 60 ASP H H 8.2690 0.02 1 624 60 60 ASP HA H 4.4300 0.02 1 625 60 60 ASP HB2 H 2.5340 0.02 2 626 60 60 ASP HB3 H 2.6930 0.02 2 627 60 60 ASP C C 176.6580 0.20 1 628 60 60 ASP CA C 55.7890 0.20 1 629 60 60 ASP CB C 40.0600 0.20 1 630 60 60 ASP N N 115.7590 0.20 1 631 61 61 ASN H H 7.9760 0.02 1 632 61 61 ASN HA H 4.8860 0.02 1 633 61 61 ASN HB2 H 3.4040 0.02 2 634 61 61 ASN HB3 H 2.7170 0.02 2 635 61 61 ASN HD21 H 7.4200 0.02 2 636 61 61 ASN HD22 H 7.0080 0.02 2 637 61 61 ASN C C 173.6380 0.20 1 638 61 61 ASN CA C 53.4400 0.20 1 639 61 61 ASN CB C 39.8130 0.20 1 640 61 61 ASN N N 116.5610 0.20 1 641 61 61 ASN ND2 N 112.5460 0.20 1 642 62 62 ILE H H 7.4750 0.02 1 643 62 62 ILE HA H 4.4920 0.02 1 644 62 62 ILE HB H 1.8910 0.02 1 645 62 62 ILE HD1 H 0.7800 0.02 1 646 62 62 ILE HG12 H 1.7280 0.02 2 647 62 62 ILE HG13 H 1.7280 0.02 1 648 62 62 ILE HG2 H 0.7530 0.02 1 649 62 62 ILE C C 174.4320 0.20 1 650 62 62 ILE CA C 61.4390 0.20 1 651 62 62 ILE CB C 39.7120 0.20 1 652 62 62 ILE CD1 C 14.5800 0.20 1 653 62 62 ILE CG1 C 27.2360 0.20 1 654 62 62 ILE CG2 C 17.2760 0.20 1 655 62 62 ILE N N 119.5700 0.20 1 656 63 63 ARG H H 8.6790 0.02 1 657 63 63 ARG HA H 4.7500 0.02 1 658 63 63 ARG HB2 H 1.8060 0.02 2 659 63 63 ARG HB3 H 1.9050 0.02 2 660 63 63 ARG HD2 H 3.2310 0.02 2 661 63 63 ARG HD3 H 3.2310 0.02 2 662 63 63 ARG HG2 H 1.7040 0.02 2 663 63 63 ARG HG3 H 1.6120 0.02 2 664 63 63 ARG C C 175.7550 0.20 1 665 63 63 ARG CA C 55.0730 0.20 1 666 63 63 ARG CB C 31.9550 0.20 1 667 63 63 ARG CD C 43.1740 0.20 1 668 63 63 ARG CG C 27.2870 0.20 1 669 63 63 ARG N N 127.7210 0.20 1 670 64 64 ILE H H 8.8750 0.02 1 671 64 64 ILE HA H 5.1750 0.02 1 672 64 64 ILE HB H 1.7120 0.02 1 673 64 64 ILE HD1 H 0.8450 0.02 1 674 64 64 ILE HG12 H 1.5930 0.02 1 675 64 64 ILE HG13 H 0.9090 0.02 1 676 64 64 ILE HG2 H 0.8300 0.02 1 677 64 64 ILE C C 175.7440 0.20 1 678 64 64 ILE CA C 60.6030 0.20 1 679 64 64 ILE CB C 40.4480 0.20 1 680 64 64 ILE CD1 C 13.8770 0.20 1 681 64 64 ILE CG1 C 28.3020 0.20 1 682 64 64 ILE CG2 C 17.3930 0.20 1 683 64 64 ILE N N 126.9920 0.20 1 684 65 65 SER H H 9.1720 0.02 1 685 65 65 SER HA H 4.8900 0.02 1 686 65 65 SER HB2 H 3.8870 0.02 2 687 65 65 SER HB3 H 3.8260 0.02 2 688 65 65 SER C C 171.9500 0.20 1 689 65 65 SER CA C 57.3250 0.20 1 690 65 65 SER CB C 65.5650 0.20 1 691 65 65 SER N N 123.0850 0.20 1 692 66 66 GLN H H 8.6010 0.02 1 693 66 66 GLN HA H 5.5080 0.02 1 694 66 66 GLN HB2 H 2.0380 0.02 2 695 66 66 GLN HB3 H 1.9680 0.02 2 696 66 66 GLN HE21 H 7.9120 0.02 2 697 66 66 GLN HE22 H 6.6870 0.02 2 698 66 66 GLN HG2 H 2.3000 0.02 2 699 66 66 GLN HG3 H 2.3000 0.02 2 700 66 66 GLN C C 174.7130 0.20 1 701 66 66 GLN CA C 54.8000 0.20 1 702 66 66 GLN CB C 32.4760 0.20 1 703 66 66 GLN CG C 34.0330 0.20 1 704 66 66 GLN N N 122.5200 0.20 1 705 66 66 GLN NE2 N 111.4840 0.20 1 706 67 67 GLU H H 8.8940 0.02 1 707 67 67 GLU HA H 4.7480 0.02 1 708 67 67 GLU HB2 H 2.1280 0.02 2 709 67 67 GLU HB3 H 1.7290 0.02 2 710 67 67 GLU HG2 H 2.2150 0.02 2 711 67 67 GLU HG3 H 2.2940 0.02 2 712 67 67 GLU C C 174.4610 0.20 1 713 67 67 GLU CA C 55.4220 0.20 1 714 67 67 GLU CB C 35.3340 0.20 1 715 67 67 GLU CG C 36.6640 0.20 1 716 67 67 GLU N N 122.7360 0.20 1 717 68 68 LYS H H 8.6240 0.02 1 718 68 68 LYS HA H 5.2450 0.02 1 719 68 68 LYS HB2 H 1.7460 0.02 2 720 68 68 LYS HB3 H 1.8360 0.02 2 721 68 68 LYS HD2 H 1.6640 0.02 2 722 68 68 LYS HD3 H 1.6630 0.02 2 723 68 68 LYS HE2 H 2.9640 0.02 2 724 68 68 LYS HE3 H 2.9940 0.02 2 725 68 68 LYS HG2 H 1.4330 0.02 2 726 68 68 LYS HG3 H 1.2750 0.02 2 727 68 68 LYS C C 175.5530 0.20 1 728 68 68 LYS CA C 55.7710 0.20 1 729 68 68 LYS CB C 35.8790 0.20 1 730 68 68 LYS CD C 29.6050 0.20 1 731 68 68 LYS CE C 41.7220 0.20 1 732 68 68 LYS CG C 24.3070 0.20 1 733 68 68 LYS N N 123.1330 0.20 1 734 69 69 GLN H H 8.7770 0.02 1 735 69 69 GLN HA H 4.4370 0.02 1 736 69 69 GLN HB2 H 1.9690 0.02 2 737 69 69 GLN HB3 H 1.9690 0.02 2 738 69 69 GLN HE21 H 7.5080 0.02 2 739 69 69 GLN HE22 H 6.7400 0.02 2 740 69 69 GLN HG2 H 2.1970 0.02 2 741 69 69 GLN HG3 H 2.1970 0.02 2 742 69 69 GLN C C 174.4430 0.20 1 743 69 69 GLN CA C 55.5190 0.20 1 744 69 69 GLN CB C 31.9240 0.20 1 745 69 69 GLN CG C 33.6820 0.20 1 746 69 69 GLN N N 124.4660 0.20 1 747 69 69 GLN NE2 N 111.6800 0.20 1 748 70 70 ASP H H 9.1750 0.02 1 749 70 70 ASP HA H 4.2440 0.02 1 750 70 70 ASP HB2 H 2.7340 0.02 2 751 70 70 ASP HB3 H 2.8410 0.02 2 752 70 70 ASP C C 175.8540 0.20 1 753 70 70 ASP CA C 56.4600 0.20 1 754 70 70 ASP CB C 39.9670 0.20 1 755 70 70 ASP N N 125.4080 0.20 1 756 71 71 GLY H H 8.6240 0.02 1 757 71 71 GLY HA2 H 4.0430 0.02 2 758 71 71 GLY HA3 H 4.1340 0.02 2 759 71 71 GLY C C 173.4270 0.20 1 760 71 71 GLY CA C 46.0130 0.20 1 761 71 71 GLY N N 110.0430 0.20 1 762 72 72 MET H H 8.2770 0.02 1 763 72 72 MET HA H 5.2120 0.02 1 764 72 72 MET HB2 H 2.0450 0.02 2 765 72 72 MET HB3 H 1.8440 0.02 2 766 72 72 MET HE H 1.7570 0.02 1 767 72 72 MET HG2 H 2.2290 0.02 2 768 72 72 MET HG3 H 1.9840 0.02 2 769 72 72 MET C C 173.5260 0.20 1 770 72 72 MET CA C 54.6340 0.20 1 771 72 72 MET CB C 35.5350 0.20 1 772 72 72 MET CE C 17.2110 0.20 1 773 72 72 MET CG C 32.3150 0.20 1 774 72 72 MET N N 121.2790 0.20 1 775 73 73 ASP H H 8.7430 0.02 1 776 73 73 ASP HA H 5.3320 0.02 1 777 73 73 ASP HB2 H 2.5200 0.02 2 778 73 73 ASP HB3 H 2.7500 0.02 2 779 73 73 ASP C C 174.6930 0.20 1 780 73 73 ASP CA C 53.5350 0.20 1 781 73 73 ASP CB C 45.6090 0.20 1 782 73 73 ASP N N 124.5170 0.20 1 783 74 74 VAL H H 8.8940 0.02 1 784 74 74 VAL HA H 5.1660 0.02 1 785 74 74 VAL HB H 1.8640 0.02 1 786 74 74 VAL HG1 H 0.8140 0.02 2 787 74 74 VAL HG2 H 0.8140 0.02 2 788 74 74 VAL C C 173.5970 0.20 1 789 74 74 VAL CA C 60.7590 0.20 1 790 74 74 VAL CB C 35.6060 0.20 1 791 74 74 VAL CG1 C 22.5600 0.20 1 792 74 74 VAL CG2 C 22.5600 0.20 1 793 74 74 VAL N N 120.5330 0.20 1 794 75 75 LEU H H 9.3830 0.02 1 795 75 75 LEU HA H 5.1100 0.02 1 796 75 75 LEU HB2 H 1.4820 0.02 2 797 75 75 LEU HB3 H 1.7610 0.02 2 798 75 75 LEU HD1 H 0.7820 0.02 2 799 75 75 LEU HD2 H 0.8970 0.02 2 800 75 75 LEU HG H 1.4910 0.02 1 801 75 75 LEU C C 173.3810 0.20 1 802 75 75 LEU CA C 53.4520 0.20 1 803 75 75 LEU CB C 46.3850 0.20 1 804 75 75 LEU CD1 C 26.1820 0.20 1 805 75 75 LEU CD2 C 24.5420 0.20 1 806 75 75 LEU CG C 27.3540 0.20 1 807 75 75 LEU N N 129.8220 0.20 1 808 76 76 GLU H H 9.2980 0.02 1 809 76 76 GLU HA H 5.3360 0.02 1 810 76 76 GLU HB2 H 1.6730 0.02 2 811 76 76 GLU HB3 H 2.0840 0.02 2 812 76 76 GLU C C 174.4350 0.20 1 813 76 76 GLU CA C 54.4010 0.20 1 814 76 76 GLU CB C 33.2950 0.20 1 815 76 76 GLU N N 126.4620 0.20 1 816 77 77 LEU H H 9.6580 0.02 1 817 77 77 LEU HA H 5.2170 0.02 1 818 77 77 LEU HB2 H 1.7230 0.02 2 819 77 77 LEU HB3 H 1.2800 0.02 2 820 77 77 LEU HD1 H 0.7810 0.02 2 821 77 77 LEU HD2 H 0.7770 0.02 2 822 77 77 LEU HG H 1.6320 0.02 1 823 77 77 LEU C C 175.1340 0.20 1 824 77 77 LEU CA C 53.9730 0.20 1 825 77 77 LEU CB C 43.8900 0.20 1 826 77 77 LEU CD1 C 25.4890 0.20 1 827 77 77 LEU CD2 C 26.6050 0.20 1 828 77 77 LEU CG C 28.5740 0.20 1 829 77 77 LEU N N 126.2100 0.20 1 830 78 78 ASN H H 9.0790 0.02 1 831 78 78 ASN HA H 5.2710 0.02 1 832 78 78 ASN HB2 H 2.7300 0.02 2 833 78 78 ASN HB3 H 2.5860 0.02 2 834 78 78 ASN HD21 H 7.2500 0.02 2 835 78 78 ASN HD22 H 7.6720 0.02 2 836 78 78 ASN C C 174.2910 0.20 1 837 78 78 ASN CA C 53.3760 0.20 1 838 78 78 ASN CB C 41.9650 0.20 1 839 78 78 ASN N N 122.1760 0.20 1 840 78 78 ASN ND2 N 114.2190 0.20 1 841 79 79 ILE H H 9.1300 0.02 1 842 79 79 ILE HA H 4.7910 0.02 1 843 79 79 ILE HB H 1.9520 0.02 1 844 79 79 ILE HD1 H 0.7670 0.02 1 845 79 79 ILE HG12 H 1.0380 0.02 1 846 79 79 ILE HG13 H 1.4300 0.02 1 847 79 79 ILE HG2 H 0.7630 0.02 1 848 79 79 ILE C C 175.0570 0.20 1 849 79 79 ILE CA C 60.6110 0.20 1 850 79 79 ILE CB C 41.1630 0.20 1 851 79 79 ILE CD1 C 16.0150 0.20 1 852 79 79 ILE CG1 C 28.9910 0.20 1 853 79 79 ILE CG2 C 19.2260 0.20 1 854 79 79 ILE N N 125.6660 0.20 1 855 80 80 THR H H 8.6890 0.02 1 856 80 80 THR HA H 4.4260 0.02 1 857 80 80 THR HB H 4.1160 0.02 1 858 80 80 THR HG2 H 1.2470 0.02 1 859 80 80 THR C C 173.7220 0.20 1 860 80 80 THR CA C 62.6090 0.20 1 861 80 80 THR CB C 69.3120 0.20 1 862 80 80 THR CG2 C 22.0000 0.20 1 863 80 80 THR N N 124.9440 0.20 1 864 81 81 LEU H H 8.0890 0.02 1 865 81 81 LEU HA H 4.4910 0.02 1 866 81 81 LEU HB2 H 1.6480 0.02 2 867 81 81 LEU HB3 H 1.6700 0.02 2 868 81 81 LEU HD1 H 0.7090 0.02 2 869 81 81 LEU HD2 H 0.9880 0.02 2 870 81 81 LEU HG H 1.6020 0.02 1 871 81 81 LEU CA C 53.0490 0.20 1 872 81 81 LEU CB C 40.3350 0.20 1 873 81 81 LEU CD1 C 22.9960 0.20 1 874 81 81 LEU CD2 C 25.7130 0.20 1 875 81 81 LEU CG C 27.7050 0.20 1 876 81 81 LEU N N 127.7900 0.20 1 877 82 82 PRO HA H 4.4490 0.02 1 878 82 82 PRO HB2 H 2.3330 0.02 2 879 82 82 PRO HB3 H 1.9320 0.02 2 880 82 82 PRO HD2 H 3.6970 0.02 2 881 82 82 PRO HD3 H 3.6480 0.02 2 882 82 82 PRO HG2 H 2.0890 0.02 2 883 82 82 PRO HG3 H 2.0890 0.02 2 884 82 82 PRO C C 176.5400 0.20 1 885 82 82 PRO CA C 62.9240 0.20 1 886 82 82 PRO CB C 32.3480 0.20 1 887 82 82 PRO CD C 50.5670 0.20 1 888 82 82 PRO CG C 27.5340 0.20 1 889 83 83 GLU H H 8.6200 0.02 1 890 83 83 GLU HA H 4.2740 0.02 1 891 83 83 GLU HB2 H 2.0180 0.02 2 892 83 83 GLU HB3 H 1.9670 0.02 2 893 83 83 GLU HG2 H 2.3180 0.02 2 894 83 83 GLU HG3 H 2.2550 0.02 2 895 83 83 GLU C C 176.6400 0.20 1 896 83 83 GLU CA C 56.6790 0.20 1 897 83 83 GLU CB C 30.5650 0.20 1 898 83 83 GLU CG C 36.4950 0.20 1 899 83 83 GLU N N 121.8340 0.20 1 900 84 84 GLN H H 8.6540 0.02 1 901 84 84 GLN HA H 4.3520 0.02 1 902 84 84 GLN HB2 H 2.1050 0.02 2 903 84 84 GLN HB3 H 1.9850 0.02 2 904 84 84 GLN HE21 H 7.6480 0.02 2 905 84 84 GLN HE22 H 6.9360 0.02 2 906 84 84 GLN HG2 H 2.4020 0.02 2 907 84 84 GLN HG3 H 2.4020 0.02 2 908 84 84 GLN C C 175.7820 0.20 1 909 84 84 GLN CA C 55.5450 0.20 1 910 84 84 GLN CB C 29.5180 0.20 1 911 84 84 GLN CG C 33.6820 0.20 1 912 84 84 GLN N N 123.3260 0.20 1 913 84 84 GLN NE2 N 113.0500 0.20 1 914 85 85 LYS H H 8.4630 0.02 1 915 85 85 LYS HA H 4.3050 0.02 1 916 85 85 LYS HB2 H 1.7430 0.02 2 917 85 85 LYS HB3 H 1.8140 0.02 2 918 85 85 LYS HD2 H 1.6720 0.02 2 919 85 85 LYS HD3 H 1.6720 0.02 2 920 85 85 LYS HE2 H 2.9800 0.02 2 921 85 85 LYS HE3 H 2.9800 0.02 2 922 85 85 LYS HG2 H 1.4380 0.02 2 923 85 85 LYS HG3 H 1.3800 0.02 2 924 85 85 LYS C C 176.3490 0.20 1 925 85 85 LYS CA C 56.3370 0.20 1 926 85 85 LYS CB C 33.1080 0.20 1 927 85 85 LYS CD C 28.9940 0.20 1 928 85 85 LYS CE C 41.8850 0.20 1 929 85 85 LYS CG C 24.8930 0.20 1 930 85 85 LYS N N 123.2780 0.20 1 931 86 86 LYS H H 8.3760 0.02 1 932 86 86 LYS HA H 4.3290 0.02 1 933 86 86 LYS HB2 H 1.7340 0.02 2 934 86 86 LYS HB3 H 1.7840 0.02 2 935 86 86 LYS HD2 H 1.6720 0.02 2 936 86 86 LYS HD3 H 1.6720 0.02 2 937 86 86 LYS HE2 H 2.9800 0.02 2 938 86 86 LYS HE3 H 2.9800 0.02 2 939 86 86 LYS HG2 H 1.4380 0.02 2 940 86 86 LYS HG3 H 1.3800 0.02 2 941 86 86 LYS C C 176.3700 0.20 1 942 86 86 LYS CA C 56.2730 0.20 1 943 86 86 LYS CB C 33.1740 0.20 1 944 86 86 LYS CD C 28.9940 0.20 1 945 86 86 LYS CE C 41.8850 0.20 1 946 86 86 LYS CG C 24.8930 0.20 1 947 86 86 LYS N N 123.1440 0.20 1 948 87 87 VAL H H 8.2230 0.02 1 949 87 87 VAL HA H 4.0560 0.02 1 950 87 87 VAL HB H 2.0270 0.02 1 951 87 87 VAL HG1 H 0.8870 0.02 2 952 87 87 VAL HG2 H 0.9160 0.02 2 953 87 87 VAL C C 175.9190 0.20 1 954 87 87 VAL CA C 62.3210 0.20 1 955 87 87 VAL CB C 32.7520 0.20 1 956 87 87 VAL CG1 C 21.1430 0.20 1 957 87 87 VAL CG2 C 20.6740 0.20 1 958 87 87 VAL N N 122.5330 0.20 1 959 88 88 LEU H H 8.3410 0.02 1 960 88 88 LEU HA H 4.3300 0.02 1 961 88 88 LEU HB2 H 1.4770 0.02 2 962 88 88 LEU HB3 H 1.5620 0.02 2 963 88 88 LEU HD1 H 0.8300 0.02 2 964 88 88 LEU HD2 H 0.8830 0.02 2 965 88 88 LEU HG H 1.5720 0.02 1 966 88 88 LEU C C 177.0120 0.20 1 967 88 88 LEU CA C 54.9580 0.20 1 968 88 88 LEU CB C 42.3090 0.20 1 969 88 88 LEU CD1 C 23.4040 0.20 1 970 88 88 LEU CD2 C 24.7900 0.20 1 971 88 88 LEU CG C 27.0030 0.20 1 972 88 88 LEU N N 126.2950 0.20 1 973 89 89 GLU H H 8.3330 0.02 1 974 89 89 GLU HA H 4.2000 0.02 1 975 89 89 GLU HB2 H 1.8370 0.02 2 976 89 89 GLU HB3 H 1.8950 0.02 2 977 89 89 GLU HG2 H 2.1340 0.02 2 978 89 89 GLU HG3 H 2.1910 0.02 2 979 89 89 GLU C C 174.1210 0.20 1 980 89 89 GLU CA C 56.2890 0.20 1 981 89 89 GLU CB C 30.4730 0.20 1 982 89 89 GLU CG C 36.2600 0.20 1 983 89 89 GLU N N 121.7780 0.20 1 984 90 90 HIS H H 8.2410 0.02 1 985 90 90 HIS HA H 4.5250 0.02 1 986 90 90 HIS C C 176.4960 0.20 1 987 90 90 HIS CA C 56.0610 0.20 1 988 90 90 HIS CB C 30.9150 0.20 1 989 90 90 HIS N N 120.2050 0.20 1 990 91 91 HIS H H 7.9380 0.02 1 991 91 91 HIS CA C 57.5400 0.20 1 992 91 91 HIS N N 125.6820 0.20 1 stop_ save_