data_18679 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for cold shock protein, LmCsp with dT7 ; _BMRB_accession_number 18679 _BMRB_flat_file_name bmr18679.str _Entry_type original _Submission_date 2012-08-27 _Accession_date 2012-08-27 _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 Lee Juho . . 2 Jeong Ki-Woong . . 3 Kim Yangmee . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 335 "13C chemical shifts" 232 "15N chemical shifts" 73 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-08-05 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18680 'cold shock protein, LmCsp' stop_ _Original_release_date 2013-08-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and Dynamic Features of Cold-Shock Proteins of Listeriamonocytogenes, a Psychrophilic Bacterium' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23506337 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee Juho . . 2 Jeong Ki-Woong . . 3 Jin Bonghwan . . 4 Ryu Kyoung-Seok . . 5 Kim Eun-Hee . . 6 Ahn Joong-Hoon . . 7 Kim Yangmee . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 52 _Journal_issue 14 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2492 _Page_last 2504 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name LmCsp_dT7 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LmCsp_dT7 $LmCsp_dT7 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_LmCsp_dT7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LmCsp_dT7 _Molecular_mass 7272.949 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 66 _Mol_residue_sequence ; MEQGTVKWFNAEKGFGFIER ENGDDVFVHFSAIQGDGFKS LDEGQAVTFDVEEGQRGPQA ANVQKA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLU 3 3 GLN 4 4 GLY 5 5 THR 6 6 VAL 7 7 LYS 8 8 TRP 9 9 PHE 10 10 ASN 11 11 ALA 12 12 GLU 13 13 LYS 14 14 GLY 15 15 PHE 16 16 GLY 17 17 PHE 18 18 ILE 19 19 GLU 20 20 ARG 21 21 GLU 22 22 ASN 23 23 GLY 24 24 ASP 25 25 ASP 26 26 VAL 27 27 PHE 28 28 VAL 29 29 HIS 30 30 PHE 31 31 SER 32 32 ALA 33 33 ILE 34 34 GLN 35 35 GLY 36 36 ASP 37 37 GLY 38 38 PHE 39 39 LYS 40 40 SER 41 41 LEU 42 42 ASP 43 43 GLU 44 44 GLY 45 45 GLN 46 46 ALA 47 47 VAL 48 48 THR 49 49 PHE 50 50 ASP 51 51 VAL 52 52 GLU 53 53 GLU 54 54 GLY 55 55 GLN 56 56 ARG 57 57 GLY 58 58 PRO 59 59 GLN 60 60 ALA 61 61 ALA 62 62 ASN 63 63 VAL 64 64 GLN 65 65 LYS 66 66 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 BMRB 18680 LmCsp 100.00 66 100.00 100.00 4.56e-38 PDB 2LXJ "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Cold Shock Protein, Lmcsp With Dt7" 100.00 66 100.00 100.00 4.56e-38 PDB 2LXK "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Cold Shock Protein, Lmcsp" 100.00 66 100.00 100.00 4.56e-38 EMBL CAA62903 "CspA protein [Listeria monocytogenes]" 100.00 68 100.00 100.00 3.32e-38 EMBL CAC20630 "cold shock protein L [Listeria monocytogenes]" 100.00 66 100.00 100.00 4.56e-38 EMBL CAC96632 "cspL [Listeria innocua Clip11262]" 100.00 66 100.00 100.00 4.56e-38 EMBL CAC99442 "cspL [Listeria monocytogenes EGD-e]" 100.00 66 100.00 100.00 4.56e-38 EMBL CAK20797 "cold shock protein [Listeria welshimeri serovar 6b str. SLCC5334]" 100.00 66 100.00 100.00 4.56e-38 GB AAC80246 "major cold-shock protein, partial [Listeria innocua]" 68.18 45 100.00 100.00 2.04e-21 GB AAT04156 "cold-shock domain family protein [Listeria monocytogenes serotype 4b str. F2365]" 100.00 66 100.00 100.00 4.56e-38 GB ACK39554 "conserved domain protein [Listeria monocytogenes HCC23]" 100.00 66 100.00 100.00 4.56e-38 GB ADB68252 "hypothetical protein LM5578_1503 [Listeria monocytogenes 08-5578]" 100.00 66 100.00 100.00 4.56e-38 GB ADB71297 "hypothetical protein LM5923_1456 [Listeria monocytogenes 08-5923]" 100.00 66 100.00 100.00 4.56e-38 REF NP_464889 "cold-shock protein [Listeria monocytogenes EGD-e]" 100.00 66 100.00 100.00 4.56e-38 REF WP_003719639 "MULTISPECIES: cold-shock protein CspA [Listeria]" 100.00 66 100.00 100.00 4.56e-38 REF WP_003756020 "cold-shock protein [Listeria grayi]" 98.48 66 96.92 98.46 3.16e-36 REF WP_012985572 "MULTISPECIES: cold-shock protein CspA [Listeria]" 100.00 66 98.48 100.00 1.41e-37 SP P0A355 "RecName: Full=Cold shock-like protein CspLA; Short=CspL" 100.00 66 100.00 100.00 4.56e-38 SP P0A356 "RecName: Full=Cold shock-like protein CspLA; Short=CspL" 100.00 66 100.00 100.00 4.56e-38 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LmCsp_dT7 Firmicutes 1639 Bacteria . Listeria monocytogenes 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 $LmCsp_dT7 'recombinant technology' . Escherichia coli . pET-11a 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 $LmCsp_dT7 0.8 mM '[U-13C; U-15N]' 'potassium phosphate' 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' DSS 0.004 v/v 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'chemical shift calculation' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 . 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_ _Experiment_label '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HNHA' '3D HN(CO)CA' 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 LmCsp_dT7 _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 2 2 GLU HA H 4.926 0.005 1 2 2 2 GLU HB2 H 1.674 0.004 1 3 2 2 GLU HB3 H 1.799 0.007 1 4 2 2 GLU HG2 H 1.943 0.005 1 5 2 2 GLU HG3 H 2.100 0.005 1 6 2 2 GLU C C 173.979 0.000 1 7 2 2 GLU CB C 26.849 0.061 1 8 2 2 GLU CG C 33.747 0.115 1 9 3 3 GLN H H 8.202 0.004 1 10 3 3 GLN HA H 5.150 0.007 1 11 3 3 GLN HB2 H 2.004 0.006 1 12 3 3 GLN HB3 H 2.150 0.001 1 13 3 3 GLN HG2 H 2.322 0.005 1 14 3 3 GLN HG3 H 2.356 0.006 1 15 3 3 GLN HE21 H 7.457 0.001 1 16 3 3 GLN HE22 H 6.746 0.012 1 17 3 3 GLN C C 175.962 0.000 1 18 3 3 GLN CA C 54.124 0.055 1 19 3 3 GLN CB C 31.938 0.043 1 20 3 3 GLN CG C 33.859 0.019 1 21 3 3 GLN N N 116.901 0.053 1 22 3 3 GLN NE2 N 111.597 0.005 1 23 4 4 GLY H H 8.629 0.007 1 24 4 4 GLY HA2 H 4.675 0.006 1 25 4 4 GLY HA3 H 4.675 0.006 1 26 4 4 GLY C C 172.109 0.000 1 27 4 4 GLY CA C 45.614 0.000 1 28 4 4 GLY N N 108.174 0.018 1 29 5 5 THR H H 8.417 0.001 1 30 5 5 THR HA H 5.210 0.006 1 31 5 5 THR HB H 3.750 0.004 1 32 5 5 THR HG2 H 1.060 0.007 1 33 5 5 THR C C 173.994 0.000 1 34 5 5 THR CA C 60.077 0.056 1 35 5 5 THR CB C 71.635 0.070 1 36 5 5 THR CG2 C 21.845 0.088 1 37 5 5 THR N N 114.528 0.029 1 38 6 6 VAL H H 8.908 0.007 1 39 6 6 VAL HA H 3.521 0.002 1 40 6 6 VAL HB H 2.366 0.004 1 41 6 6 VAL HG1 H 0.478 0.004 1 42 6 6 VAL HG2 H 0.884 0.006 1 43 6 6 VAL C C 175.620 0.000 1 44 6 6 VAL CA C 65.068 0.099 1 45 6 6 VAL CB C 31.632 0.035 1 46 6 6 VAL CG1 C 21.053 0.056 1 47 6 6 VAL CG2 C 24.680 0.027 1 48 6 6 VAL N N 125.816 0.036 1 49 7 7 LYS H H 9.260 0.010 1 50 7 7 LYS HA H 4.214 0.005 1 51 7 7 LYS HB2 H 1.638 0.004 1 52 7 7 LYS HB3 H 1.749 0.008 1 53 7 7 LYS HG2 H 1.632 0.006 1 54 7 7 LYS HG3 H 1.551 0.003 1 55 7 7 LYS HD2 H 2.081 0.001 1 56 7 7 LYS HE2 H 3.094 0.004 1 57 7 7 LYS HE3 H 3.094 0.004 1 58 7 7 LYS HZ H 6.916 0.000 1 59 7 7 LYS HZ H 6.905 0.000 1 60 7 7 LYS HZ H 6.916 0.000 1 61 7 7 LYS C C 175.913 0.000 1 62 7 7 LYS CA C 58.754 0.032 1 63 7 7 LYS CB C 35.092 0.193 1 64 7 7 LYS CG C 25.271 0.097 1 65 7 7 LYS CD C 29.588 0.002 1 66 7 7 LYS CE C 42.392 0.000 1 67 7 7 LYS N N 135.919 0.047 1 68 8 8 TRP H H 7.372 0.006 1 69 8 8 TRP HA H 4.567 0.004 1 70 8 8 TRP HB2 H 3.273 0.002 1 71 8 8 TRP HB3 H 3.547 0.007 1 72 8 8 TRP HE1 H 9.764 0.000 1 73 8 8 TRP C C 173.327 0.000 1 74 8 8 TRP CA C 55.871 0.069 1 75 8 8 TRP CB C 30.675 0.040 1 76 8 8 TRP N N 110.597 0.022 1 77 8 8 TRP NE1 N 127.816 0.000 1 78 9 9 PHE H H 9.265 0.009 1 79 9 9 PHE HA H 4.180 0.006 1 80 9 9 PHE HB2 H 2.330 0.004 1 81 9 9 PHE HB3 H 2.938 0.004 1 82 9 9 PHE C C 172.561 0.000 1 83 9 9 PHE CA C 59.110 0.157 1 84 9 9 PHE CB C 42.287 0.097 1 85 9 9 PHE N N 120.373 0.012 1 86 10 10 ASN H H 8.223 0.006 1 87 10 10 ASN HA H 4.933 0.005 1 88 10 10 ASN HB2 H 2.535 0.004 1 89 10 10 ASN HB3 H 2.634 0.009 1 90 10 10 ASN HD21 H 7.504 0.002 1 91 10 10 ASN HD22 H 6.783 0.001 1 92 10 10 ASN C C 174.373 0.000 1 93 10 10 ASN CA C 51.898 0.000 1 94 10 10 ASN CB C 38.909 0.046 1 95 10 10 ASN N N 127.710 0.032 1 96 10 10 ASN ND2 N 112.232 0.003 1 97 11 11 ALA H H 9.119 0.003 1 98 11 11 ALA HA H 4.303 0.004 1 99 11 11 ALA HB H 1.658 0.003 1 100 11 11 ALA C C 176.087 0.000 1 101 11 11 ALA CA C 53.809 0.138 1 102 11 11 ALA CB C 18.701 0.013 1 103 11 11 ALA N N 129.186 0.040 1 104 12 12 GLU H H 8.082 0.003 1 105 12 12 GLU HA H 4.023 0.002 1 106 12 12 GLU HB2 H 2.011 0.004 1 107 12 12 GLU HB3 H 1.973 0.011 1 108 12 12 GLU HG2 H 2.340 0.009 1 109 12 12 GLU HG3 H 2.340 0.009 1 110 12 12 GLU C C 175.119 0.000 1 111 12 12 GLU CA C 58.448 0.023 1 112 12 12 GLU CB C 29.156 0.077 1 113 12 12 GLU N N 116.366 0.006 1 114 13 13 LYS H H 7.273 0.006 1 115 13 13 LYS HA H 4.312 0.006 1 116 13 13 LYS HB2 H 1.127 0.008 1 117 13 13 LYS HB3 H 1.935 0.003 1 118 13 13 LYS HG2 H 1.322 0.005 1 119 13 13 LYS HG3 H 1.421 0.007 1 120 13 13 LYS HD2 H 1.848 0.000 1 121 13 13 LYS HD3 H 1.646 0.008 1 122 13 13 LYS HE2 H 2.981 0.080 1 123 13 13 LYS HE3 H 2.981 0.080 1 124 13 13 LYS C C 177.130 0.000 1 125 13 13 LYS CA C 56.812 0.000 1 126 13 13 LYS CB C 34.614 0.103 1 127 13 13 LYS CG C 25.740 0.104 1 128 13 13 LYS CD C 29.423 0.097 1 129 13 13 LYS CE C 42.279 0.034 1 130 13 13 LYS N N 113.821 0.027 1 131 14 14 GLY H H 8.370 0.005 1 132 14 14 GLY HA2 H 3.849 0.002 1 133 14 14 GLY HA3 H 3.849 0.002 1 134 14 14 GLY C C 172.485 0.000 1 135 14 14 GLY CA C 46.754 0.000 1 136 14 14 GLY N N 105.929 0.019 1 137 15 15 PHE H H 6.572 0.008 1 138 15 15 PHE HA H 4.814 0.006 1 139 15 15 PHE HB2 H 2.545 0.007 1 140 15 15 PHE HB3 H 2.658 0.001 1 141 15 15 PHE C C 171.414 0.000 1 142 15 15 PHE CA C 53.720 0.000 1 143 15 15 PHE CB C 42.723 0.049 1 144 15 15 PHE N N 112.060 0.014 1 145 16 16 GLY H H 7.851 0.003 1 146 16 16 GLY HA2 H 3.683 0.011 1 147 16 16 GLY HA3 H 3.683 0.011 1 148 16 16 GLY C C 173.812 0.000 1 149 16 16 GLY CA C 44.912 0.000 1 150 16 16 GLY N N 105.419 0.001 1 151 17 17 PHE H H 7.800 0.000 1 152 17 17 PHE HA H 5.008 0.006 1 153 17 17 PHE HB2 H 2.038 0.006 1 154 17 17 PHE HB3 H 2.504 0.004 1 155 17 17 PHE C C 174.568 0.000 1 156 17 17 PHE CA C 56.724 0.075 1 157 17 17 PHE CB C 45.189 0.084 1 158 17 17 PHE N N 115.154 0.005 1 159 18 18 ILE H H 9.337 0.004 1 160 18 18 ILE HA H 4.061 0.009 1 161 18 18 ILE HB H 0.989 0.005 1 162 18 18 ILE HG12 H 0.244 0.007 1 163 18 18 ILE HG13 H 1.109 0.003 1 164 18 18 ILE HG2 H 0.286 0.008 1 165 18 18 ILE HD1 H -0.249 0.003 1 166 18 18 ILE C C 174.459 0.000 1 167 18 18 ILE CA C 60.156 0.022 1 168 18 18 ILE CB C 41.379 0.071 1 169 18 18 ILE CG1 C 27.961 0.035 1 170 18 18 ILE CG2 C 18.164 0.030 1 171 18 18 ILE CD1 C 13.474 0.045 1 172 18 18 ILE N N 122.756 0.030 1 173 19 19 GLU H H 9.294 0.007 1 174 19 19 GLU HA H 4.915 0.008 1 175 19 19 GLU HB2 H 1.989 0.004 1 176 19 19 GLU HB3 H 1.989 0.004 1 177 19 19 GLU HG2 H 2.252 0.012 1 178 19 19 GLU C C 175.169 0.000 1 179 19 19 GLU CA C 54.980 0.116 1 180 19 19 GLU CB C 32.204 0.054 1 181 19 19 GLU CG C 36.132 0.057 1 182 19 19 GLU N N 126.777 0.027 1 183 20 20 ARG H H 9.290 0.007 1 184 20 20 ARG HA H 4.020 0.005 1 185 20 20 ARG HB2 H 2.038 0.007 1 186 20 20 ARG HB3 H 2.038 0.007 1 187 20 20 ARG HG2 H 2.485 0.000 1 188 20 20 ARG HG3 H 2.485 0.000 1 189 20 20 ARG C C 176.345 0.000 1 190 20 20 ARG CA C 55.406 0.024 1 191 20 20 ARG CB C 33.630 0.044 1 192 20 20 ARG CG C 31.138 0.058 1 193 20 20 ARG N N 123.573 0.005 1 194 21 21 GLU H H 9.066 0.026 1 195 21 21 GLU HA H 4.100 0.007 1 196 21 21 GLU HB2 H 2.029 0.005 1 197 21 21 GLU HB3 H 2.029 0.005 1 198 21 21 GLU HG2 H 2.366 0.007 1 199 21 21 GLU HG3 H 2.261 0.005 1 200 21 21 GLU C C 177.265 0.000 1 201 21 21 GLU CA C 58.795 0.038 1 202 21 21 GLU CB C 29.908 0.063 1 203 21 21 GLU CG C 36.385 0.211 1 204 21 21 GLU N N 121.542 0.161 1 205 22 22 ASN H H 8.257 0.018 1 206 22 22 ASN HA H 4.748 0.008 1 207 22 22 ASN HB2 H 2.838 0.013 1 208 22 22 ASN HB3 H 2.848 0.000 1 209 22 22 ASN HD21 H 6.854 0.003 1 210 22 22 ASN HD22 H 7.562 0.009 1 211 22 22 ASN C C 174.806 0.000 1 212 22 22 ASN CA C 53.129 0.000 1 213 22 22 ASN CB C 39.020 0.014 1 214 22 22 ASN N N 115.336 0.018 1 215 22 22 ASN ND2 N 112.052 0.007 1 216 23 23 GLY H H 7.866 0.003 1 217 23 23 GLY HA2 H 3.986 0.001 1 218 23 23 GLY HA3 H 3.986 0.001 1 219 23 23 GLY C C 172.948 0.000 1 220 23 23 GLY CA C 44.696 0.000 1 221 23 23 GLY N N 107.564 0.013 1 222 24 24 ASP H H 8.370 0.017 1 223 24 24 ASP HA H 4.628 0.002 1 224 24 24 ASP HB2 H 2.573 0.008 1 225 24 24 ASP HB3 H 2.919 0.009 1 226 24 24 ASP C C 175.559 0.000 1 227 24 24 ASP CA C 54.453 0.165 1 228 24 24 ASP CB C 41.544 0.094 1 229 24 24 ASP N N 120.038 0.004 1 230 25 25 ASP H H 8.698 0.005 1 231 25 25 ASP HA H 4.921 0.013 1 232 25 25 ASP HB2 H 2.813 0.003 1 233 25 25 ASP HB3 H 2.813 0.003 1 234 25 25 ASP C C 176.258 0.000 1 235 25 25 ASP CA C 54.973 0.000 1 236 25 25 ASP CB C 42.488 0.027 1 237 25 25 ASP N N 120.666 0.100 1 238 26 26 VAL H H 9.365 0.017 1 239 26 26 VAL HA H 4.346 0.011 1 240 26 26 VAL HB H 1.570 0.009 1 241 26 26 VAL HG1 H 0.701 0.006 1 242 26 26 VAL HG2 H 0.905 0.008 1 243 26 26 VAL C C 174.724 0.000 1 244 26 26 VAL CA C 60.847 0.076 1 245 26 26 VAL CB C 34.500 0.044 1 246 26 26 VAL CG1 C 22.012 0.043 1 247 26 26 VAL CG2 C 20.948 0.052 1 248 26 26 VAL N N 120.541 0.031 1 249 27 27 PHE H H 8.335 0.021 1 250 27 27 PHE HA H 3.530 0.006 1 251 27 27 PHE HB2 H 2.851 0.005 1 252 27 27 PHE HB3 H 2.573 0.004 1 253 27 27 PHE HD2 H 6.426 0.002 1 254 27 27 PHE C C 172.517 0.000 1 255 27 27 PHE CA C 58.978 0.042 1 256 27 27 PHE CB C 39.934 0.154 1 257 27 27 PHE CD2 C 131.070 0.000 1 258 27 27 PHE N N 130.752 0.031 1 259 28 28 VAL H H 7.411 0.010 1 260 28 28 VAL HA H 4.393 0.003 1 261 28 28 VAL HB H 1.282 0.003 1 262 28 28 VAL HG1 H 0.439 0.003 1 263 28 28 VAL HG2 H 0.299 0.005 1 264 28 28 VAL C C 170.556 0.000 1 265 28 28 VAL CA C 57.706 0.034 1 266 28 28 VAL CB C 34.597 0.054 1 267 28 28 VAL CG1 C 22.665 0.033 1 268 28 28 VAL CG2 C 18.073 0.040 1 269 28 28 VAL N N 124.530 0.026 1 270 29 29 HIS H H 8.561 0.009 1 271 29 29 HIS HA H 4.559 0.004 1 272 29 29 HIS HB2 H 2.646 0.002 1 273 29 29 HIS HB3 H 3.044 0.005 1 274 29 29 HIS C C 177.582 0.000 1 275 29 29 HIS CA C 55.739 0.111 1 276 29 29 HIS CB C 33.542 0.043 1 277 29 29 HIS N N 127.448 0.020 1 278 30 30 PHE H H 7.970 0.003 1 279 30 30 PHE HA H 3.862 0.000 1 280 30 30 PHE HB2 H 2.670 0.005 1 281 30 30 PHE HB3 H 2.940 0.008 1 282 30 30 PHE HD1 H 6.813 0.008 1 283 30 30 PHE CA C 59.990 0.000 1 284 30 30 PHE CB C 36.480 0.028 1 285 30 30 PHE CD1 C 131.774 0.000 1 286 30 30 PHE N N 122.691 0.021 1 287 31 31 SER H H 7.623 0.019 1 288 31 31 SER HA H 3.858 0.004 1 289 31 31 SER HB2 H 3.790 0.004 1 290 31 31 SER HB3 H 3.790 0.004 1 291 31 31 SER C C 175.382 0.000 1 292 31 31 SER CA C 59.761 0.039 1 293 31 31 SER CB C 62.630 0.000 1 294 31 31 SER N N 118.356 0.000 1 295 32 32 ALA H H 7.902 0.003 1 296 32 32 ALA HA H 4.405 0.005 1 297 32 32 ALA HB H 1.513 0.008 1 298 32 32 ALA C C 177.706 0.000 1 299 32 32 ALA CA C 52.384 0.108 1 300 32 32 ALA CB C 21.173 0.050 1 301 32 32 ALA N N 124.536 0.047 1 302 33 33 ILE H H 7.595 0.006 1 303 33 33 ILE HA H 3.841 0.006 1 304 33 33 ILE HB H 1.773 0.006 1 305 33 33 ILE HG12 H 1.478 0.006 1 306 33 33 ILE HG13 H 0.206 0.011 1 307 33 33 ILE HG2 H 0.714 0.004 1 308 33 33 ILE HD1 H 0.246 0.006 1 309 33 33 ILE C C 175.517 0.000 1 310 33 33 ILE CA C 62.252 0.066 1 311 33 33 ILE CB C 37.984 0.024 1 312 33 33 ILE CG1 C 27.922 0.048 1 313 33 33 ILE CG2 C 16.624 0.041 1 314 33 33 ILE CD1 C 14.218 0.049 1 315 33 33 ILE N N 121.051 0.011 1 316 34 34 GLN H H 8.714 0.003 1 317 34 34 GLN HA H 4.255 0.008 1 318 34 34 GLN HB2 H 1.898 0.004 1 319 34 34 GLN HB3 H 2.077 0.007 1 320 34 34 GLN HG2 H 2.274 0.005 1 321 34 34 GLN HG3 H 2.274 0.005 1 322 34 34 GLN HE21 H 8.074 0.008 1 323 34 34 GLN HE22 H 6.921 0.009 1 324 34 34 GLN C C 176.167 0.000 1 325 34 34 GLN CA C 55.872 0.198 1 326 34 34 GLN CB C 29.510 0.096 1 327 34 34 GLN CG C 34.079 0.070 1 328 34 34 GLN N N 126.803 0.013 1 329 34 34 GLN NE2 N 113.639 0.111 1 330 35 35 GLY H H 8.411 0.005 1 331 35 35 GLY HA2 H 3.752 0.000 1 332 35 35 GLY HA3 H 3.752 0.000 1 333 35 35 GLY C C 172.763 0.000 1 334 35 35 GLY CA C 44.838 0.000 1 335 35 35 GLY N N 110.928 0.008 1 336 36 36 ASP H H 8.319 0.001 1 337 36 36 ASP HA H 4.799 0.014 1 338 36 36 ASP HB2 H 2.547 0.003 1 339 36 36 ASP HB3 H 2.658 0.006 1 340 36 36 ASP C C 176.584 0.000 1 341 36 36 ASP CA C 53.957 0.000 1 342 36 36 ASP CB C 42.297 0.087 1 343 36 36 ASP N N 119.994 0.030 1 344 37 37 GLY H H 8.390 0.001 1 345 37 37 GLY HA2 H 3.832 0.002 1 346 37 37 GLY HA3 H 3.832 0.002 1 347 37 37 GLY C C 176.528 0.000 1 348 37 37 GLY CA C 44.676 0.019 1 349 37 37 GLY N N 108.688 0.003 1 350 38 38 PHE H H 8.423 0.000 1 351 38 38 PHE HA H 4.767 0.009 1 352 38 38 PHE C C 175.402 0.000 1 353 38 38 PHE CA C 59.992 0.000 1 354 38 38 PHE CB C 39.043 0.000 1 355 38 38 PHE N N 122.793 0.003 1 356 39 39 LYS H H 8.592 0.002 1 357 39 39 LYS HA H 4.333 0.024 1 358 39 39 LYS HB2 H 1.408 0.006 1 359 39 39 LYS HB3 H 1.861 0.019 1 360 39 39 LYS HD2 H 1.813 0.004 1 361 39 39 LYS HD3 H 1.638 0.008 1 362 39 39 LYS HE2 H 3.053 0.001 1 363 39 39 LYS HE3 H 3.053 0.001 1 364 39 39 LYS C C 169.990 0.000 1 365 39 39 LYS CA C 55.478 0.000 1 366 39 39 LYS CB C 32.335 0.053 1 367 39 39 LYS CD C 29.380 0.039 1 368 39 39 LYS N N 123.349 0.006 1 369 40 40 SER H H 7.444 0.003 1 370 40 40 SER HA H 3.673 0.010 1 371 40 40 SER HB2 H 3.508 0.008 1 372 40 40 SER HB3 H 3.640 0.005 1 373 40 40 SER CA C 57.015 0.000 1 374 40 40 SER CB C 64.589 0.071 1 375 40 40 SER N N 113.941 0.010 1 376 41 41 LEU H H 5.598 0.003 1 377 41 41 LEU HA H 4.394 0.003 1 378 41 41 LEU HB2 H 1.089 0.002 1 379 41 41 LEU HB3 H 0.387 0.113 1 380 41 41 LEU HG H 0.754 0.006 1 381 41 41 LEU HD1 H 0.245 0.006 1 382 41 41 LEU HD2 H 0.503 0.007 1 383 41 41 LEU C C 173.917 0.000 1 384 41 41 LEU CA C 52.414 0.046 1 385 41 41 LEU CB C 46.815 0.035 1 386 41 41 LEU CG C 25.984 0.096 1 387 41 41 LEU CD1 C 25.655 0.072 1 388 41 41 LEU CD2 C 22.947 0.037 1 389 41 41 LEU N N 117.107 0.040 1 390 42 42 ASP H H 8.156 0.005 1 391 42 42 ASP HA H 4.894 0.003 1 392 42 42 ASP HB2 H 2.320 0.002 1 393 42 42 ASP HB3 H 2.617 0.018 1 394 42 42 ASP C C 175.559 0.000 1 395 42 42 ASP CA C 52.777 0.000 1 396 42 42 ASP CB C 42.970 0.066 1 397 42 42 ASP N N 118.896 0.044 1 398 43 43 GLU H H 8.689 0.005 1 399 43 43 GLU HA H 3.518 0.004 1 400 43 43 GLU HB2 H 2.014 0.004 1 401 43 43 GLU HB3 H 2.184 0.007 1 402 43 43 GLU HG2 H 2.558 0.004 1 403 43 43 GLU HG3 H 2.241 0.010 1 404 43 43 GLU C C 177.211 0.000 1 405 43 43 GLU CA C 58.444 0.067 1 406 43 43 GLU CB C 29.531 0.117 1 407 43 43 GLU CG C 35.915 0.057 1 408 43 43 GLU N N 121.023 0.241 1 409 44 44 GLY H H 8.971 0.007 1 410 44 44 GLY HA2 H 4.302 0.002 1 411 44 44 GLY HA3 H 4.302 0.002 1 412 44 44 GLY C C 173.870 0.000 1 413 44 44 GLY CA C 45.194 0.102 1 414 44 44 GLY N N 113.916 0.041 1 415 45 45 GLN H H 7.634 0.005 1 416 45 45 GLN HA H 4.177 0.004 1 417 45 45 GLN HB2 H 1.998 0.006 1 418 45 45 GLN HB3 H 2.208 0.004 1 419 45 45 GLN HG2 H 2.300 0.006 1 420 45 45 GLN HG3 H 2.300 0.006 1 421 45 45 GLN HE21 H 7.496 0.001 1 422 45 45 GLN HE22 H 6.693 0.001 1 423 45 45 GLN C C 175.454 0.000 1 424 45 45 GLN CA C 56.105 0.163 1 425 45 45 GLN CB C 30.398 0.156 1 426 45 45 GLN CG C 33.671 0.091 1 427 45 45 GLN N N 120.533 0.028 1 428 45 45 GLN NE2 N 111.665 0.010 1 429 46 46 ALA H H 8.894 0.002 1 430 46 46 ALA HA H 4.933 0.008 1 431 46 46 ALA HB H 1.499 0.005 1 432 46 46 ALA C C 178.148 0.000 1 433 46 46 ALA CA C 52.206 0.091 1 434 46 46 ALA CB C 18.983 0.026 1 435 46 46 ALA N N 130.118 0.037 1 436 47 47 VAL H H 8.591 0.008 1 437 47 47 VAL HA H 5.408 0.004 1 438 47 47 VAL HB H 2.128 0.007 1 439 47 47 VAL HG1 H 0.612 0.008 1 440 47 47 VAL HG2 H 0.509 0.006 1 441 47 47 VAL C C 175.654 0.000 1 442 47 47 VAL CA C 58.872 0.055 1 443 47 47 VAL CB C 37.129 0.083 1 444 47 47 VAL CG1 C 23.557 0.026 1 445 47 47 VAL CG2 C 18.617 0.033 1 446 47 47 VAL N N 114.581 0.022 1 447 48 48 THR H H 8.943 0.005 1 448 48 48 THR HA H 5.398 0.007 1 449 48 48 THR HB H 4.085 0.003 1 450 48 48 THR HG2 H 1.076 0.010 1 451 48 48 THR C C 177.527 0.000 1 452 48 48 THR CA C 60.253 0.047 1 453 48 48 THR CB C 71.323 0.046 1 454 48 48 THR CG2 C 21.468 0.016 1 455 48 48 THR N N 113.346 0.033 1 456 49 49 PHE H H 8.214 0.007 1 457 49 49 PHE HA H 5.003 0.005 1 458 49 49 PHE HB2 H 3.013 0.008 1 459 49 49 PHE HB3 H 3.208 0.005 1 460 49 49 PHE HD1 H 6.712 0.003 1 461 49 49 PHE C C 171.900 0.000 1 462 49 49 PHE CA C 56.589 0.072 1 463 49 49 PHE CB C 39.741 0.091 1 464 49 49 PHE CD1 C 132.259 0.011 1 465 49 49 PHE N N 116.531 0.019 1 466 50 50 ASP H H 8.862 0.008 1 467 50 50 ASP HA H 5.167 0.012 1 468 50 50 ASP HB2 H 2.378 0.020 1 469 50 50 ASP HB3 H 2.675 0.003 1 470 50 50 ASP C C 175.559 0.000 1 471 50 50 ASP CA C 53.971 0.000 1 472 50 50 ASP CB C 43.986 0.042 1 473 50 50 ASP N N 118.134 0.023 1 474 51 51 VAL H H 8.700 0.008 1 475 51 51 VAL HA H 4.770 0.019 1 476 51 51 VAL HB H 1.934 0.004 1 477 51 51 VAL HG1 H 0.995 0.002 1 478 51 51 VAL HG2 H 0.878 0.007 1 479 51 51 VAL C C 175.378 0.000 1 480 51 51 VAL CA C 62.046 0.000 1 481 51 51 VAL CB C 33.854 0.029 1 482 51 51 VAL CG1 C 23.172 0.046 1 483 51 51 VAL CG2 C 21.862 0.064 1 484 51 51 VAL N N 120.815 0.207 1 485 52 52 GLU H H 9.062 0.014 1 486 52 52 GLU HA H 4.780 0.015 1 487 52 52 GLU HB2 H 1.836 0.001 1 488 52 52 GLU HB3 H 1.976 0.005 1 489 52 52 GLU HG2 H 2.032 0.004 1 490 52 52 GLU HG3 H 2.111 0.014 1 491 52 52 GLU C C 175.436 0.000 1 492 52 52 GLU CA C 54.133 0.000 1 493 52 52 GLU CB C 32.295 0.025 1 494 52 52 GLU CG C 33.634 0.050 1 495 52 52 GLU N N 127.575 0.058 1 496 53 53 GLU H H 8.808 0.012 1 497 53 53 GLU HA H 4.260 0.007 1 498 53 53 GLU HB2 H 1.897 0.007 1 499 53 53 GLU HB3 H 1.982 0.003 1 500 53 53 GLU HG2 H 2.243 0.008 1 501 53 53 GLU HG3 H 2.190 0.009 1 502 53 53 GLU C C 176.436 0.000 1 503 53 53 GLU CA C 56.417 0.118 1 504 53 53 GLU CB C 29.392 0.015 1 505 53 53 GLU CG C 35.741 0.055 1 506 53 53 GLU N N 124.119 0.042 1 507 54 54 GLY H H 7.822 0.003 1 508 54 54 GLY HA2 H 4.358 0.011 1 509 54 54 GLY HA3 H 4.358 0.011 1 510 54 54 GLY C C 175.559 0.000 1 511 54 54 GLY CA C 44.527 0.061 1 512 54 54 GLY N N 113.794 0.017 1 513 55 55 GLN H H 8.685 0.024 1 514 55 55 GLN HA H 4.757 0.040 1 515 55 55 GLN HB2 H 1.970 0.009 1 516 55 55 GLN HB3 H 1.995 0.004 1 517 55 55 GLN HG2 H 2.359 0.007 1 518 55 55 GLN HG3 H 2.359 0.007 1 519 55 55 GLN HE21 H 7.182 0.003 1 520 55 55 GLN HE22 H 6.898 0.007 1 521 55 55 GLN C C 177.419 0.000 1 522 55 55 GLN CA C 58.624 0.000 1 523 55 55 GLN CB C 29.233 0.078 1 524 55 55 GLN CG C 33.939 0.001 1 525 55 55 GLN N N 121.059 0.095 1 526 55 55 GLN NE2 N 113.217 0.002 1 527 56 56 ARG H H 8.491 0.002 1 528 56 56 ARG HA H 4.426 0.002 1 529 56 56 ARG HB2 H 1.296 0.003 1 530 56 56 ARG HB3 H 1.777 0.003 1 531 56 56 ARG HG2 H 1.367 0.001 1 532 56 56 ARG HG3 H 1.367 0.001 1 533 56 56 ARG C C 175.110 0.000 1 534 56 56 ARG CA C 54.836 0.065 1 535 56 56 ARG CB C 30.092 0.034 1 536 56 56 ARG CG C 26.730 0.035 1 537 56 56 ARG N N 116.444 0.021 1 538 57 57 GLY H H 7.316 0.004 1 539 57 57 GLY HA2 H 4.490 0.004 1 540 57 57 GLY HA3 H 4.490 0.004 1 541 57 57 GLY CA C 44.201 0.060 1 542 57 57 GLY N N 107.667 0.022 1 543 58 58 PRO HA H 4.810 0.007 1 544 58 58 PRO HB2 H 1.847 0.004 1 545 58 58 PRO HB3 H 2.283 0.010 1 546 58 58 PRO HG2 H 2.085 0.005 1 547 58 58 PRO HG3 H 2.308 0.004 1 548 58 58 PRO HD2 H 3.863 0.005 1 549 58 58 PRO HD3 H 3.740 0.005 1 550 58 58 PRO C C 176.345 0.000 1 551 58 58 PRO CA C 63.118 0.000 1 552 58 58 PRO CB C 32.517 0.065 1 553 58 58 PRO CG C 27.506 0.047 1 554 58 58 PRO CD C 49.705 0.071 1 555 59 59 GLN H H 9.086 0.012 1 556 59 59 GLN HA H 5.160 0.008 1 557 59 59 GLN HB2 H 2.096 0.009 1 558 59 59 GLN HB3 H 2.202 0.005 1 559 59 59 GLN HG2 H 2.319 0.001 1 560 59 59 GLN HG3 H 2.319 0.001 1 561 59 59 GLN HE21 H 7.760 0.000 1 562 59 59 GLN HE22 H 7.378 0.000 1 563 59 59 GLN C C 173.910 0.000 1 564 59 59 GLN CA C 54.284 0.115 1 565 59 59 GLN CB C 32.688 0.076 1 566 59 59 GLN CG C 33.892 0.002 1 567 59 59 GLN N N 121.136 0.028 1 568 59 59 GLN NE2 N 113.023 0.000 1 569 60 60 ALA H H 8.796 0.006 1 570 60 60 ALA HA H 4.878 0.013 1 571 60 60 ALA HB H 0.816 0.005 1 572 60 60 ALA C C 176.210 0.000 1 573 60 60 ALA CA C 51.216 0.163 1 574 60 60 ALA CB C 20.271 0.043 1 575 60 60 ALA N N 123.241 0.035 1 576 61 61 ALA H H 9.165 0.008 1 577 61 61 ALA HA H 4.670 0.012 1 578 61 61 ALA HB H 1.299 0.005 1 579 61 61 ALA C C 175.840 0.000 1 580 61 61 ALA CA C 50.868 0.000 1 581 61 61 ALA CB C 23.063 0.046 1 582 61 61 ALA N N 123.741 0.026 1 583 62 62 ASN H H 9.288 0.003 1 584 62 62 ASN HA H 4.250 0.008 1 585 62 62 ASN HB2 H 2.771 0.008 1 586 62 62 ASN HB3 H 2.920 0.014 1 587 62 62 ASN HD21 H 8.078 0.000 1 588 62 62 ASN HD22 H 6.785 0.000 1 589 62 62 ASN C C 178.093 0.000 1 590 62 62 ASN CA C 53.967 0.136 1 591 62 62 ASN CB C 37.229 0.047 1 592 62 62 ASN N N 118.727 0.011 1 593 62 62 ASN ND2 N 114.981 0.000 1 594 63 63 VAL H H 8.129 0.010 1 595 63 63 VAL HA H 4.383 0.003 1 596 63 63 VAL HB H 1.718 0.003 1 597 63 63 VAL HG1 H 0.611 0.006 1 598 63 63 VAL HG2 H 0.571 0.003 1 599 63 63 VAL C C 175.378 0.000 1 600 63 63 VAL CA C 63.116 0.091 1 601 63 63 VAL CB C 31.509 0.069 1 602 63 63 VAL CG1 C 21.476 0.080 1 603 63 63 VAL CG2 C 22.756 0.074 1 604 63 63 VAL N N 116.869 0.020 1 605 64 64 GLN H H 9.104 0.005 1 606 64 64 GLN HA H 4.777 0.007 1 607 64 64 GLN HB2 H 1.836 0.007 1 608 64 64 GLN HB3 H 1.982 0.005 1 609 64 64 GLN HG2 H 2.230 0.005 1 610 64 64 GLN HG3 H 2.110 0.000 1 611 64 64 GLN HE21 H 7.520 0.005 1 612 64 64 GLN HE22 H 6.953 0.001 1 613 64 64 GLN CA C 54.133 0.000 1 614 64 64 GLN CB C 32.174 0.073 1 615 64 64 GLN CG C 33.899 0.044 1 616 64 64 GLN N N 127.534 0.017 1 617 64 64 GLN NE2 N 112.440 0.118 1 618 65 65 LYS H H 8.637 0.048 1 619 65 65 LYS HA H 4.295 0.002 1 620 65 65 LYS HB2 H 1.855 0.006 1 621 65 65 LYS HB3 H 1.710 0.005 1 622 65 65 LYS HG2 H 1.431 0.015 1 623 65 65 LYS HG3 H 1.114 0.004 1 624 65 65 LYS HD2 H 1.675 0.002 1 625 65 65 LYS HD3 H 1.865 0.008 1 626 65 65 LYS HE2 H 2.944 0.014 1 627 65 65 LYS HE3 H 2.944 0.014 1 628 65 65 LYS C C 175.520 0.000 1 629 65 65 LYS CA C 57.760 0.101 1 630 65 65 LYS CB C 32.714 0.064 1 631 65 65 LYS CG C 25.859 0.072 1 632 65 65 LYS CD C 29.575 0.070 1 633 65 65 LYS CE C 43.049 0.068 1 634 65 65 LYS N N 122.593 0.027 1 635 66 66 ALA H H 8.116 0.004 1 636 66 66 ALA HA H 4.196 0.002 1 637 66 66 ALA HB H 1.210 0.003 1 638 66 66 ALA CA C 53.098 0.027 1 639 66 66 ALA CB C 20.648 0.048 1 640 66 66 ALA N N 133.816 0.031 1 stop_ save_