data_18680 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for cold shock protein, LmCsp ; _BMRB_accession_number 18680 _BMRB_flat_file_name bmr18680.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" 341 "13C chemical shifts" 239 "15N chemical shifts" 72 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-08-05 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 18679 'cold shock protein, LmCsp with dT7' 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 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LmCsp $LmCsp 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LmCsp _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 18679 LmCsp_dT7 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 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 '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 0.8 mM '[U-13C; U-15N]' 'potassium phosphate' 50 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' 'potassium chloride' 100 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 _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 4.384 0.008 1 2 2 2 GLU HB2 H 2.025 0.000 1 3 2 2 GLU HB3 H 2.025 0.000 1 4 2 2 GLU HG2 H 2.018 0.000 1 5 2 2 GLU HG3 H 2.151 0.001 1 6 2 2 GLU C C 174.000 0.000 1 7 2 2 GLU CB C 26.750 0.000 1 8 2 2 GLU CG C 33.240 0.000 1 9 3 3 GLN H H 8.207 0.009 1 10 3 3 GLN HA H 5.164 0.003 1 11 3 3 GLN HB2 H 2.157 0.004 1 12 3 3 GLN HB3 H 2.012 0.005 1 13 3 3 GLN HG2 H 2.333 0.006 1 14 3 3 GLN HG3 H 2.333 0.006 1 15 3 3 GLN HE21 H 7.481 0.002 1 16 3 3 GLN HE22 H 6.745 0.004 1 17 3 3 GLN C C 175.957 0.000 1 18 3 3 GLN CA C 54.114 0.050 1 19 3 3 GLN CB C 31.857 0.119 1 20 3 3 GLN CG C 33.866 0.056 1 21 3 3 GLN N N 116.986 0.002 1 22 3 3 GLN NE2 N 111.536 0.031 1 23 4 4 GLY H H 8.672 0.005 1 24 4 4 GLY HA2 H 4.691 0.005 1 25 4 4 GLY HA3 H 4.691 0.005 1 26 4 4 GLY C C 172.211 0.000 1 27 4 4 GLY CA C 45.669 0.000 1 28 4 4 GLY N N 108.379 0.039 1 29 5 5 THR H H 8.544 0.003 1 30 5 5 THR HA H 5.236 0.005 1 31 5 5 THR HB H 3.752 0.000 1 32 5 5 THR HG2 H 1.072 0.003 1 33 5 5 THR C C 174.086 0.000 1 34 5 5 THR CA C 59.981 0.057 1 35 5 5 THR CB C 71.675 0.000 1 36 5 5 THR N N 114.215 0.011 1 37 6 6 VAL H H 8.859 0.003 1 38 6 6 VAL HA H 3.553 0.006 1 39 6 6 VAL HB H 2.371 0.004 1 40 6 6 VAL HG1 H 0.520 0.007 1 41 6 6 VAL HG2 H 0.866 0.005 1 42 6 6 VAL C C 175.510 0.000 1 43 6 6 VAL CA C 64.827 0.046 1 44 6 6 VAL CB C 31.691 0.033 1 45 6 6 VAL CG1 C 21.380 0.109 1 46 6 6 VAL CG2 C 24.255 0.027 1 47 6 6 VAL N N 125.567 0.003 1 48 7 7 LYS H H 9.279 0.002 1 49 7 7 LYS HA H 4.285 0.005 1 50 7 7 LYS HB2 H 1.644 0.006 1 51 7 7 LYS HB3 H 1.773 0.003 1 52 7 7 LYS HG2 H 1.571 0.009 1 53 7 7 LYS HG3 H 1.615 0.001 1 54 7 7 LYS HD2 H 1.982 0.004 1 55 7 7 LYS HD3 H 2.143 0.007 1 56 7 7 LYS HE2 H 3.034 0.010 1 57 7 7 LYS HE3 H 3.034 0.010 1 58 7 7 LYS HZ H 7.081 0.000 1 59 7 7 LYS HZ H 7.077 0.000 1 60 7 7 LYS HZ H 7.081 0.000 1 61 7 7 LYS C C 176.029 0.000 1 62 7 7 LYS CA C 58.549 0.000 1 63 7 7 LYS CB C 34.865 0.167 1 64 7 7 LYS CG C 25.116 0.028 1 65 7 7 LYS CD C 29.318 0.000 1 66 7 7 LYS CE C 41.629 0.074 1 67 7 7 LYS N N 135.119 0.029 1 68 8 8 TRP H H 7.437 0.003 1 69 8 8 TRP HA H 4.615 0.012 1 70 8 8 TRP HB2 H 3.359 0.014 1 71 8 8 TRP HB3 H 3.511 0.021 1 72 8 8 TRP HE1 H 10.448 0.004 1 73 8 8 TRP C C 173.607 0.000 1 74 8 8 TRP CA C 56.060 0.000 1 75 8 8 TRP CB C 31.013 0.024 1 76 8 8 TRP N N 111.492 0.038 1 77 8 8 TRP NE1 N 130.059 0.000 1 78 9 9 PHE H H 9.254 0.003 1 79 9 9 PHE HA H 4.232 0.019 1 80 9 9 PHE HB2 H 2.391 0.012 1 81 9 9 PHE HB3 H 2.936 0.012 1 82 9 9 PHE C C 172.478 0.000 1 83 9 9 PHE CA C 59.188 0.000 1 84 9 9 PHE CB C 42.218 0.028 1 85 9 9 PHE N N 120.978 0.010 1 86 10 10 ASN H H 8.220 0.006 1 87 10 10 ASN HA H 4.813 0.013 1 88 10 10 ASN HB2 H 2.499 0.010 1 89 10 10 ASN HB3 H 2.499 0.010 1 90 10 10 ASN HD21 H 6.912 0.004 1 91 10 10 ASN HD22 H 6.765 0.002 1 92 10 10 ASN C C 174.155 0.000 1 93 10 10 ASN CA C 51.532 0.000 1 94 10 10 ASN CB C 39.340 0.000 1 95 10 10 ASN N N 127.135 0.019 1 96 10 10 ASN ND2 N 112.421 0.030 1 97 11 11 ALA H H 9.043 0.002 1 98 11 11 ALA HA H 4.059 0.005 1 99 11 11 ALA HB H 1.598 0.011 1 100 11 11 ALA C C 178.815 0.000 1 101 11 11 ALA CA C 54.572 0.001 1 102 11 11 ALA CB C 18.704 0.001 1 103 11 11 ALA N N 128.688 0.029 1 104 12 12 GLU H H 8.121 0.010 1 105 12 12 GLU HA H 4.033 0.006 1 106 12 12 GLU HB2 H 2.142 0.060 1 107 12 12 GLU HB3 H 2.142 0.060 1 108 12 12 GLU HG2 H 2.263 0.005 1 109 12 12 GLU HG3 H 2.263 0.005 1 110 12 12 GLU C C 178.348 0.000 1 111 12 12 GLU CA C 59.047 0.057 1 112 12 12 GLU CB C 29.281 0.061 1 113 12 12 GLU CG C 36.659 0.000 1 114 12 12 GLU N N 117.999 0.040 1 115 13 13 LYS H H 7.562 0.002 1 116 13 13 LYS HA H 4.236 0.009 1 117 13 13 LYS HB2 H 1.122 0.003 1 118 13 13 LYS HB3 H 1.836 0.019 1 119 13 13 LYS HG2 H 1.366 0.012 1 120 13 13 LYS HG3 H 1.428 0.008 1 121 13 13 LYS HD2 H 1.870 0.000 1 122 13 13 LYS HD3 H 2.071 0.000 1 123 13 13 LYS HE2 H 3.021 0.013 1 124 13 13 LYS HE3 H 3.021 0.013 1 125 13 13 LYS C C 177.411 0.000 1 126 13 13 LYS CA C 56.407 0.000 1 127 13 13 LYS CB C 33.883 0.149 1 128 13 13 LYS CG C 25.880 0.052 1 129 13 13 LYS CD C 29.453 0.000 1 130 13 13 LYS CE C 41.670 0.000 1 131 13 13 LYS N N 116.143 0.027 1 132 14 14 GLY H H 8.178 0.004 1 133 14 14 GLY HA2 H 4.136 0.007 1 134 14 14 GLY HA3 H 4.136 0.007 1 135 14 14 GLY C C 172.411 0.000 1 136 14 14 GLY CA C 46.460 0.000 1 137 14 14 GLY N N 107.674 0.024 1 138 15 15 PHE H H 6.655 0.003 1 139 15 15 PHE HA H 5.044 0.024 1 140 15 15 PHE HB2 H 2.801 0.026 1 141 15 15 PHE HB3 H 2.929 0.015 1 142 15 15 PHE C C 171.846 0.000 1 143 15 15 PHE CA C 55.320 0.000 1 144 15 15 PHE CB C 41.882 0.002 1 145 15 15 PHE N N 112.634 0.016 1 146 16 16 GLY H H 8.018 0.015 1 147 16 16 GLY HA2 H 3.867 0.001 1 148 16 16 GLY HA3 H 3.867 0.001 1 149 16 16 GLY C C 170.465 0.000 1 150 16 16 GLY CA C 45.210 0.000 1 151 16 16 GLY N N 105.546 0.001 1 152 17 17 PHE H H 7.746 0.003 1 153 17 17 PHE HA H 5.169 0.036 1 154 17 17 PHE HB2 H 2.168 0.019 1 155 17 17 PHE HB3 H 2.551 0.017 1 156 17 17 PHE C C 174.567 0.000 1 157 17 17 PHE CA C 56.740 0.014 1 158 17 17 PHE CB C 45.922 0.022 1 159 17 17 PHE N N 114.706 0.005 1 160 18 18 ILE H H 9.414 0.002 1 161 18 18 ILE HA H 4.135 0.007 1 162 18 18 ILE HB H 1.003 0.005 1 163 18 18 ILE HG12 H 0.281 0.002 1 164 18 18 ILE HG13 H 1.145 0.007 1 165 18 18 ILE HG2 H 0.288 0.007 1 166 18 18 ILE HD1 H -0.199 0.004 1 167 18 18 ILE C C 174.418 0.000 1 168 18 18 ILE CA C 59.917 0.087 1 169 18 18 ILE CB C 41.519 0.014 1 170 18 18 ILE CG1 C 28.065 0.035 1 171 18 18 ILE CG2 C 18.141 0.055 1 172 18 18 ILE CD1 C 13.643 0.018 1 173 18 18 ILE N N 122.670 0.028 1 174 19 19 GLU H H 9.271 0.005 1 175 19 19 GLU HA H 4.930 0.012 1 176 19 19 GLU HB2 H 1.997 0.016 1 177 19 19 GLU HB3 H 2.021 0.014 1 178 19 19 GLU HG2 H 2.272 0.010 1 179 19 19 GLU HG3 H 2.308 0.000 1 180 19 19 GLU C C 175.136 0.000 1 181 19 19 GLU CA C 55.031 0.168 1 182 19 19 GLU CB C 32.398 0.000 1 183 19 19 GLU CG C 36.079 0.007 1 184 19 19 GLU N N 126.801 0.023 1 185 20 20 ARG H H 9.427 0.003 1 186 20 20 ARG HA H 4.169 0.011 1 187 20 20 ARG HB2 H 2.111 0.007 1 188 20 20 ARG HB3 H 2.111 0.007 1 189 20 20 ARG HG2 H 2.517 0.005 1 190 20 20 ARG HG3 H 2.517 0.005 1 191 20 20 ARG C C 176.313 0.000 1 192 20 20 ARG CA C 55.071 0.150 1 193 20 20 ARG CB C 33.049 0.040 1 194 20 20 ARG CG C 31.165 0.069 1 195 20 20 ARG N N 123.599 0.033 1 196 21 21 GLU H H 9.065 0.002 1 197 21 21 GLU HA H 4.123 0.003 1 198 21 21 GLU HB2 H 2.058 0.007 1 199 21 21 GLU HB3 H 2.274 0.014 1 200 21 21 GLU HG2 H 2.289 0.000 1 201 21 21 GLU HG3 H 2.395 0.008 1 202 21 21 GLU C C 177.242 0.000 1 203 21 21 GLU CA C 58.758 0.021 1 204 21 21 GLU CB C 29.867 0.027 1 205 21 21 GLU CG C 36.353 0.113 1 206 21 21 GLU N N 121.362 0.034 1 207 22 22 ASN H H 8.280 0.004 1 208 22 22 ASN HA H 4.757 0.014 1 209 22 22 ASN HB2 H 2.836 0.010 1 210 22 22 ASN HB3 H 2.913 0.001 1 211 22 22 ASN HD21 H 7.542 0.000 1 212 22 22 ASN HD22 H 6.837 0.001 1 213 22 22 ASN C C 174.890 0.000 1 214 22 22 ASN CA C 53.260 0.000 1 215 22 22 ASN CB C 39.030 0.000 1 216 22 22 ASN N N 115.125 0.009 1 217 22 22 ASN ND2 N 112.357 0.001 1 218 23 23 GLY H H 7.875 0.003 1 219 23 23 GLY HA2 H 3.961 0.012 1 220 23 23 GLY HA3 H 3.961 0.012 1 221 23 23 GLY C C 173.040 0.000 1 222 23 23 GLY CA C 44.629 0.133 1 223 23 23 GLY N N 107.628 0.014 1 224 24 24 ASP H H 8.388 0.002 1 225 24 24 ASP HA H 4.626 0.009 1 226 24 24 ASP HB2 H 2.593 0.010 1 227 24 24 ASP HB3 H 2.856 0.011 1 228 24 24 ASP C C 175.861 0.000 1 229 24 24 ASP CA C 54.066 0.041 1 230 24 24 ASP CB C 41.687 0.151 1 231 24 24 ASP N N 119.673 0.033 1 232 25 25 ASP H H 8.615 0.002 1 233 25 25 ASP HA H 5.033 0.034 1 234 25 25 ASP HB2 H 2.842 0.014 1 235 25 25 ASP HB3 H 2.842 0.014 1 236 25 25 ASP C C 176.182 0.000 1 237 25 25 ASP CA C 54.860 0.000 1 238 25 25 ASP CB C 42.299 0.061 1 239 25 25 ASP N N 120.475 0.009 1 240 26 26 VAL H H 9.290 0.002 1 241 26 26 VAL HA H 4.342 0.010 1 242 26 26 VAL HB H 1.633 0.007 1 243 26 26 VAL HG1 H 0.722 0.006 1 244 26 26 VAL HG2 H 0.900 0.005 1 245 26 26 VAL C C 174.564 0.000 1 246 26 26 VAL CA C 60.578 0.043 1 247 26 26 VAL CB C 34.855 0.006 1 248 26 26 VAL CG1 C 21.902 0.030 1 249 26 26 VAL CG2 C 21.172 0.137 1 250 26 26 VAL N N 120.104 0.035 1 251 27 27 PHE H H 8.356 0.003 1 252 27 27 PHE HA H 3.737 0.012 1 253 27 27 PHE HB2 H 2.716 0.010 1 254 27 27 PHE HB3 H 3.008 0.002 1 255 27 27 PHE HD1 H 6.719 0.001 1 256 27 27 PHE HD2 H 6.719 0.001 1 257 27 27 PHE C C 172.750 0.000 1 258 27 27 PHE CA C 58.906 0.000 1 259 27 27 PHE CB C 40.230 0.000 1 260 27 27 PHE CD1 C 132.255 0.069 1 261 27 27 PHE CD2 C 132.255 0.069 1 262 27 27 PHE N N 130.351 0.019 1 263 28 28 VAL H H 7.738 0.003 1 264 28 28 VAL HA H 4.406 0.020 1 265 28 28 VAL HB H 1.358 0.013 1 266 28 28 VAL HG1 H 0.500 0.003 1 267 28 28 VAL HG2 H 0.385 0.014 1 268 28 28 VAL C C 170.415 0.000 1 269 28 28 VAL CA C 57.733 0.034 1 270 28 28 VAL CB C 34.375 0.010 1 271 28 28 VAL CG1 C 22.892 0.033 1 272 28 28 VAL CG2 C 18.193 0.020 1 273 28 28 VAL N N 124.583 0.022 1 274 29 29 HIS H H 8.644 0.005 1 275 29 29 HIS HA H 4.762 0.018 1 276 29 29 HIS HB2 H 2.827 0.004 1 277 29 29 HIS HB3 H 3.084 0.022 1 278 29 29 HIS C C 177.292 0.000 1 279 29 29 HIS CA C 55.860 0.000 1 280 29 29 HIS CB C 33.550 0.050 1 281 29 29 HIS N N 127.671 0.010 1 282 30 30 PHE H H 8.293 0.002 1 283 30 30 PHE HA H 4.031 0.012 1 284 30 30 PHE HB2 H 3.159 0.021 1 285 30 30 PHE HB3 H 2.930 0.013 1 286 30 30 PHE HD1 H 6.934 0.000 1 287 30 30 PHE HD2 H 6.934 0.000 1 288 30 30 PHE C C 176.013 0.000 1 289 30 30 PHE CA C 59.970 0.084 1 290 30 30 PHE CB C 37.320 0.087 1 291 30 30 PHE CD1 C 131.107 0.000 1 292 30 30 PHE CD2 C 131.107 0.000 1 293 30 30 PHE N N 123.263 0.040 1 294 31 31 SER H H 7.604 0.002 1 295 31 31 SER HA H 3.864 0.007 1 296 31 31 SER HB2 H 3.505 0.002 1 297 31 31 SER HB3 H 3.553 0.011 1 298 31 31 SER C C 175.135 0.000 1 299 31 31 SER CA C 59.831 0.021 1 300 31 31 SER CB C 62.609 0.046 1 301 31 31 SER N N 117.100 0.018 1 302 32 32 ALA H H 8.034 0.001 1 303 32 32 ALA HA H 4.473 0.011 1 304 32 32 ALA HB H 1.544 0.005 1 305 32 32 ALA C C 177.521 0.000 1 306 32 32 ALA CA C 52.214 0.055 1 307 32 32 ALA CB C 20.954 0.021 1 308 32 32 ALA N N 124.110 0.007 1 309 33 33 ILE H H 7.420 0.002 1 310 33 33 ILE HA H 3.870 0.003 1 311 33 33 ILE HB H 1.709 0.007 1 312 33 33 ILE HG12 H 1.493 0.009 1 313 33 33 ILE HG2 H 0.694 0.007 1 314 33 33 ILE HD1 H 0.293 0.009 1 315 33 33 ILE C C 175.648 0.000 1 316 33 33 ILE CA C 62.335 0.116 1 317 33 33 ILE CB C 37.897 0.020 1 318 33 33 ILE CG1 C 27.819 0.082 1 319 33 33 ILE CG2 C 17.082 0.010 1 320 33 33 ILE CD1 C 14.237 0.024 1 321 33 33 ILE N N 119.895 0.004 1 322 34 34 GLN H H 8.756 0.003 1 323 34 34 GLN HA H 4.329 0.006 1 324 34 34 GLN HB2 H 1.891 0.010 1 325 34 34 GLN HB3 H 2.107 0.005 1 326 34 34 GLN HG2 H 2.330 0.010 1 327 34 34 GLN HG3 H 2.330 0.010 1 328 34 34 GLN HE21 H 8.197 0.003 1 329 34 34 GLN HE22 H 7.025 0.001 1 330 34 34 GLN C C 176.188 0.000 1 331 34 34 GLN CA C 55.470 0.256 1 332 34 34 GLN CB C 29.679 0.022 1 333 34 34 GLN CG C 33.788 0.000 1 334 34 34 GLN N N 127.419 0.017 1 335 34 34 GLN NE2 N 114.550 0.027 1 336 35 35 GLY H H 8.413 0.004 1 337 35 35 GLY HA2 H 3.789 0.002 1 338 35 35 GLY HA3 H 3.789 0.002 1 339 35 35 GLY C C 173.464 0.000 1 340 35 35 GLY CA C 44.582 0.000 1 341 35 35 GLY N N 110.056 0.010 1 342 36 36 ASP H H 8.318 0.005 1 343 36 36 ASP HA H 4.760 0.021 1 344 36 36 ASP HB2 H 2.596 0.009 1 345 36 36 ASP HB3 H 2.673 0.006 1 346 36 36 ASP C C 176.683 0.000 1 347 36 36 ASP CA C 53.892 0.000 1 348 36 36 ASP CB C 41.969 0.061 1 349 36 36 ASP N N 119.951 0.059 1 350 37 37 GLY H H 8.328 0.011 1 351 37 37 GLY HA2 H 3.823 0.004 1 352 37 37 GLY HA3 H 3.823 0.004 1 353 37 37 GLY C C 173.823 0.000 1 354 37 37 GLY CA C 44.777 0.000 1 355 37 37 GLY N N 108.637 0.014 1 356 38 38 PHE H H 8.159 0.002 1 357 38 38 PHE HA H 4.437 0.011 1 358 38 38 PHE HB2 H 2.955 0.007 1 359 38 38 PHE HB3 H 2.955 0.007 1 360 38 38 PHE C C 176.130 0.000 1 361 38 38 PHE CA C 57.899 0.111 1 362 38 38 PHE CB C 38.978 0.022 1 363 38 38 PHE N N 120.574 0.009 1 364 39 39 LYS H H 8.281 0.002 1 365 39 39 LYS HA H 4.219 0.015 1 366 39 39 LYS HB2 H 1.328 0.003 1 367 39 39 LYS HB3 H 1.374 0.009 1 368 39 39 LYS HG2 H 1.295 0.005 1 369 39 39 LYS HG3 H 1.422 0.005 1 370 39 39 LYS HD2 H 1.686 0.024 1 371 39 39 LYS HD3 H 1.686 0.024 1 372 39 39 LYS HE2 H 3.007 0.001 1 373 39 39 LYS HE3 H 3.007 0.001 1 374 39 39 LYS C C 174.139 0.000 1 375 39 39 LYS CA C 55.616 0.161 1 376 39 39 LYS CB C 32.390 0.000 1 377 39 39 LYS CG C 24.419 0.062 1 378 39 39 LYS CD C 28.790 0.000 1 379 39 39 LYS CE C 42.200 0.000 1 380 39 39 LYS N N 125.210 0.028 1 381 40 40 SER H H 7.550 0.002 1 382 40 40 SER HA H 3.924 0.018 1 383 40 40 SER HB2 H 3.497 0.006 1 384 40 40 SER HB3 H 3.540 0.009 1 385 40 40 SER C C 171.892 0.000 1 386 40 40 SER CA C 56.418 0.017 1 387 40 40 SER CB C 64.238 0.107 1 388 40 40 SER N N 113.646 0.028 1 389 41 41 LEU H H 5.975 0.002 1 390 41 41 LEU HA H 4.387 0.004 1 391 41 41 LEU HB2 H 0.479 0.006 1 392 41 41 LEU HB3 H 1.027 0.003 1 393 41 41 LEU HG H 0.778 0.009 1 394 41 41 LEU HD1 H 0.232 0.010 1 395 41 41 LEU HD2 H 0.489 0.006 1 396 41 41 LEU C C 174.127 0.000 1 397 41 41 LEU CA C 52.783 0.180 1 398 41 41 LEU CB C 45.968 0.239 1 399 41 41 LEU CG C 26.159 0.026 1 400 41 41 LEU CD1 C 25.551 0.033 1 401 41 41 LEU CD2 C 23.074 0.049 1 402 41 41 LEU N N 119.035 0.043 1 403 42 42 ASP H H 8.264 0.004 1 404 42 42 ASP HA H 4.833 0.009 1 405 42 42 ASP HB2 H 2.354 0.002 1 406 42 42 ASP HB3 H 2.630 0.001 1 407 42 42 ASP C C 175.645 0.000 1 408 42 42 ASP CA C 52.608 0.000 1 409 42 42 ASP CB C 42.801 0.045 1 410 42 42 ASP N N 119.827 0.054 1 411 43 43 GLU H H 8.676 0.006 1 412 43 43 GLU HA H 3.546 0.006 1 413 43 43 GLU HB2 H 2.141 0.014 1 414 43 43 GLU HB3 H 2.006 0.004 1 415 43 43 GLU HG2 H 2.271 0.006 1 416 43 43 GLU HG3 H 2.549 0.006 1 417 43 43 GLU C C 177.348 0.000 1 418 43 43 GLU CA C 58.276 0.014 1 419 43 43 GLU CB C 29.379 0.080 1 420 43 43 GLU CG C 35.944 0.036 1 421 43 43 GLU N N 120.722 0.016 1 422 44 44 GLY H H 9.052 0.002 1 423 44 44 GLY HA2 H 4.314 0.001 1 424 44 44 GLY HA3 H 4.314 0.001 1 425 44 44 GLY C C 173.863 0.000 1 426 44 44 GLY CA C 44.865 0.146 1 427 44 44 GLY N N 113.780 0.025 1 428 45 45 GLN H H 7.693 0.002 1 429 45 45 GLN HA H 4.161 0.006 1 430 45 45 GLN HB2 H 1.996 0.003 1 431 45 45 GLN HB3 H 2.231 0.008 1 432 45 45 GLN HG2 H 2.265 0.010 1 433 45 45 GLN HG3 H 2.298 0.005 1 434 45 45 GLN HE21 H 7.502 0.000 1 435 45 45 GLN HE22 H 6.703 0.006 1 436 45 45 GLN C C 175.485 0.000 1 437 45 45 GLN CA C 55.902 0.086 1 438 45 45 GLN CB C 30.492 0.033 1 439 45 45 GLN CG C 33.440 0.077 1 440 45 45 GLN N N 120.501 0.005 1 441 45 45 GLN NE2 N 111.610 0.008 1 442 46 46 ALA H H 8.924 0.002 1 443 46 46 ALA HA H 4.979 0.008 1 444 46 46 ALA HB H 1.509 0.002 1 445 46 46 ALA C C 178.200 0.000 1 446 46 46 ALA CA C 52.299 0.012 1 447 46 46 ALA CB C 18.947 0.015 1 448 46 46 ALA N N 130.602 0.031 1 449 47 47 VAL H H 8.705 0.004 1 450 47 47 VAL HA H 5.420 0.003 1 451 47 47 VAL HB H 2.178 0.007 1 452 47 47 VAL HG1 H 0.535 0.005 1 453 47 47 VAL HG2 H 0.638 0.007 1 454 47 47 VAL C C 175.545 0.000 1 455 47 47 VAL CA C 58.798 0.107 1 456 47 47 VAL CB C 37.068 0.100 1 457 47 47 VAL CG1 C 23.420 0.000 1 458 47 47 VAL CG2 C 18.501 0.015 1 459 47 47 VAL N N 115.106 0.014 1 460 48 48 THR H H 9.050 0.005 1 461 48 48 THR HA H 5.432 0.004 1 462 48 48 THR HB H 4.112 0.005 1 463 48 48 THR HG2 H 1.099 0.009 1 464 48 48 THR C C 173.871 0.000 1 465 48 48 THR CA C 59.986 0.160 1 466 48 48 THR CB C 71.181 0.011 1 467 48 48 THR CG2 C 20.887 0.009 1 468 48 48 THR N N 112.990 0.088 1 469 49 49 PHE H H 8.148 0.005 1 470 49 49 PHE HA H 5.027 0.005 1 471 49 49 PHE HB2 H 3.023 0.005 1 472 49 49 PHE HB3 H 3.249 0.007 1 473 49 49 PHE C C 171.959 0.000 1 474 49 49 PHE CA C 56.433 0.031 1 475 49 49 PHE CB C 39.766 0.048 1 476 49 49 PHE N N 115.845 0.009 1 477 50 50 ASP H H 8.865 0.002 1 478 50 50 ASP HA H 5.211 0.004 1 479 50 50 ASP HB2 H 2.412 0.009 1 480 50 50 ASP HB3 H 2.684 0.034 1 481 50 50 ASP C C 175.646 0.000 1 482 50 50 ASP CA C 52.596 0.045 1 483 50 50 ASP CB C 43.925 0.056 1 484 50 50 ASP N N 118.155 0.018 1 485 51 51 VAL H H 8.723 0.003 1 486 51 51 VAL HA H 4.779 0.006 1 487 51 51 VAL HB H 1.961 0.003 1 488 51 51 VAL HG1 H 0.899 0.004 1 489 51 51 VAL HG2 H 1.020 0.003 1 490 51 51 VAL C C 175.099 0.000 1 491 51 51 VAL CA C 61.697 0.000 1 492 51 51 VAL CB C 33.946 0.008 1 493 51 51 VAL CG1 C 23.225 0.043 1 494 51 51 VAL CG2 C 21.599 0.104 1 495 51 51 VAL N N 120.517 0.042 1 496 52 52 GLU H H 9.129 0.005 1 497 52 52 GLU HA H 4.735 0.002 1 498 52 52 GLU HB2 H 1.885 0.002 1 499 52 52 GLU HB3 H 1.953 0.009 1 500 52 52 GLU HG2 H 2.116 0.000 1 501 52 52 GLU HG3 H 2.148 0.006 1 502 52 52 GLU C C 175.139 0.000 1 503 52 52 GLU CA C 53.902 0.000 1 504 52 52 GLU CB C 32.655 0.076 1 505 52 52 GLU CG C 35.421 0.000 1 506 52 52 GLU N N 127.198 0.032 1 507 53 53 GLU H H 8.726 0.001 1 508 53 53 GLU HA H 4.328 0.006 1 509 53 53 GLU HB2 H 1.893 0.009 1 510 53 53 GLU HB3 H 2.012 0.007 1 511 53 53 GLU HG2 H 2.237 0.006 1 512 53 53 GLU HG3 H 2.278 0.010 1 513 53 53 GLU C C 176.524 0.000 1 514 53 53 GLU CA C 56.380 0.065 1 515 53 53 GLU CB C 29.500 0.093 1 516 53 53 GLU CG C 35.781 0.051 1 517 53 53 GLU N N 123.170 0.017 1 518 54 54 GLY H H 7.941 0.002 1 519 54 54 GLY HA2 H 4.343 0.023 1 520 54 54 GLY HA3 H 4.343 0.023 1 521 54 54 GLY C C 174.781 0.000 1 522 54 54 GLY CA C 44.306 0.000 1 523 54 54 GLY N N 112.491 0.044 1 524 55 55 GLN H H 8.370 0.002 1 525 55 55 GLN HA H 4.412 0.003 1 526 55 55 GLN HB2 H 1.919 0.014 1 527 55 55 GLN HB3 H 2.022 0.033 1 528 55 55 GLN HG2 H 2.432 0.006 1 529 55 55 GLN HG3 H 2.527 0.005 1 530 55 55 GLN HE21 H 7.195 0.003 1 531 55 55 GLN HE22 H 6.909 0.002 1 532 55 55 GLN C C 175.828 0.000 1 533 55 55 GLN CA C 56.220 0.000 1 534 55 55 GLN CB C 30.320 0.000 1 535 55 55 GLN CG C 32.080 0.113 1 536 55 55 GLN N N 122.070 0.008 1 537 55 55 GLN NE2 N 113.069 0.011 1 538 56 56 ARG H H 8.518 0.003 1 539 56 56 ARG HA H 4.328 0.005 1 540 56 56 ARG HB2 H 1.739 0.000 1 541 56 56 ARG HB3 H 1.976 0.000 1 542 56 56 ARG HG2 H 1.438 0.000 1 543 56 56 ARG HG3 H 1.295 0.000 1 544 56 56 ARG C C 175.537 0.000 1 545 56 56 ARG CA C 55.414 0.000 1 546 56 56 ARG CB C 29.717 0.000 1 547 56 56 ARG N N 116.689 0.026 1 548 57 57 GLY H H 7.475 0.002 1 549 57 57 GLY HA2 H 4.513 0.002 1 550 57 57 GLY HA3 H 4.513 0.002 1 551 57 57 GLY C C 171.735 0.000 1 552 57 57 GLY CA C 44.524 0.000 1 553 57 57 GLY N N 108.606 0.012 1 554 58 58 PRO HA H 4.777 0.008 1 555 58 58 PRO HB2 H 1.884 0.007 1 556 58 58 PRO HB3 H 2.279 0.002 1 557 58 58 PRO HG2 H 2.114 0.004 1 558 58 58 PRO HG3 H 2.275 0.004 1 559 58 58 PRO HD2 H 3.786 0.007 1 560 58 58 PRO HD3 H 3.617 0.000 1 561 58 58 PRO C C 176.667 0.000 1 562 58 58 PRO CA C 63.276 0.000 1 563 58 58 PRO CB C 32.565 0.177 1 564 58 58 PRO CG C 27.665 0.040 1 565 58 58 PRO CD C 49.842 0.032 1 566 59 59 GLN H H 9.155 0.003 1 567 59 59 GLN HA H 5.293 0.010 1 568 59 59 GLN HB2 H 2.066 0.004 1 569 59 59 GLN HB3 H 2.152 0.017 1 570 59 59 GLN HG2 H 2.322 0.006 1 571 59 59 GLN HG3 H 2.322 0.006 1 572 59 59 GLN HE21 H 7.747 0.002 1 573 59 59 GLN HE22 H 7.583 0.001 1 574 59 59 GLN C C 173.637 0.000 1 575 59 59 GLN CA C 53.776 0.020 1 576 59 59 GLN CB C 32.282 0.000 1 577 59 59 GLN CG C 33.012 0.016 1 578 59 59 GLN N N 121.103 0.036 1 579 59 59 GLN NE2 N 112.355 0.057 1 580 60 60 ALA H H 8.811 0.006 1 581 60 60 ALA HA H 4.925 0.010 1 582 60 60 ALA HB H 0.861 0.005 1 583 60 60 ALA C C 176.239 0.000 1 584 60 60 ALA CA C 51.002 0.059 1 585 60 60 ALA CB C 20.531 0.066 1 586 60 60 ALA N N 123.710 0.014 1 587 61 61 ALA H H 9.201 0.001 1 588 61 61 ALA HA H 4.693 0.003 1 589 61 61 ALA HB H 1.324 0.005 1 590 61 61 ALA C C 175.918 0.000 1 591 61 61 ALA CA C 50.312 0.007 1 592 61 61 ALA CB C 23.027 0.075 1 593 61 61 ALA N N 123.711 0.018 1 594 62 62 ASN H H 9.337 0.003 1 595 62 62 ASN HA H 4.247 0.008 1 596 62 62 ASN HB2 H 2.779 0.005 1 597 62 62 ASN HB3 H 2.932 0.010 1 598 62 62 ASN HD21 H 8.110 0.003 1 599 62 62 ASN HD22 H 6.724 0.003 1 600 62 62 ASN C C 173.741 0.000 1 601 62 62 ASN CA C 53.826 0.181 1 602 62 62 ASN CB C 37.320 0.120 1 603 62 62 ASN N N 118.664 0.010 1 604 62 62 ASN ND2 N 114.622 0.019 1 605 63 63 VAL H H 8.090 0.002 1 606 63 63 VAL HA H 4.456 0.007 1 607 63 63 VAL HB H 1.744 0.004 1 608 63 63 VAL HG1 H 0.614 0.005 1 609 63 63 VAL HG2 H 0.630 0.002 1 610 63 63 VAL C C 175.457 0.000 1 611 63 63 VAL CA C 62.869 0.015 1 612 63 63 VAL CB C 31.536 0.040 1 613 63 63 VAL CG1 C 22.662 0.159 1 614 63 63 VAL CG2 C 21.460 0.000 1 615 63 63 VAL N N 117.105 0.020 1 616 64 64 GLN H H 9.052 0.002 1 617 64 64 GLN HA H 4.790 0.004 1 618 64 64 GLN HB2 H 1.839 0.005 1 619 64 64 GLN HB3 H 2.009 0.005 1 620 64 64 GLN HG2 H 2.244 0.004 1 621 64 64 GLN HG3 H 2.244 0.004 1 622 64 64 GLN HE21 H 7.574 0.003 1 623 64 64 GLN HE22 H 7.264 0.005 1 624 64 64 GLN C C 175.304 0.000 1 625 64 64 GLN CA C 53.742 0.000 1 626 64 64 GLN CB C 32.370 0.096 1 627 64 64 GLN CG C 33.742 0.000 1 628 64 64 GLN N N 126.653 0.014 1 629 64 64 GLN NE2 N 112.996 0.027 1 630 65 65 LYS H H 8.628 0.003 1 631 65 65 LYS HA H 4.273 0.007 1 632 65 65 LYS HB2 H 1.858 0.002 1 633 65 65 LYS HB3 H 1.854 0.004 1 634 65 65 LYS HG2 H 1.124 0.006 1 635 65 65 LYS HG3 H 1.437 0.004 1 636 65 65 LYS HD2 H 1.650 0.006 1 637 65 65 LYS HD3 H 1.705 0.005 1 638 65 65 LYS HE2 H 2.927 0.004 1 639 65 65 LYS HE3 H 2.927 0.004 1 640 65 65 LYS C C 175.514 0.000 1 641 65 65 LYS CA C 57.989 0.212 1 642 65 65 LYS CB C 32.708 0.055 1 643 65 65 LYS CG C 25.872 0.150 1 644 65 65 LYS CD C 29.310 0.044 1 645 65 65 LYS CE C 42.153 0.055 1 646 65 65 LYS N N 122.351 0.026 1 647 66 66 ALA H H 8.103 0.001 1 648 66 66 ALA HA H 4.218 0.002 1 649 66 66 ALA HB H 1.216 0.005 1 650 66 66 ALA C C 181.845 0.000 1 651 66 66 ALA CA C 52.956 0.040 1 652 66 66 ALA CB C 20.668 0.064 1 stop_ save_