data_15933 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NOGO66 in DPC. ; _BMRB_accession_number 15933 _BMRB_flat_file_name bmr15933.str _Entry_type original _Submission_date 2008-08-29 _Accession_date 2008-08-29 _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 Cocco Melanie J. . 2 Schulz Jessica . . 3 Vasudevan Sheeja V. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 357 "13C chemical shifts" 200 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-06 original author . stop_ _Original_release_date 2010-05-06 save_ ############################# # Citation for this entry # ############################# save_NOGO66 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Protein folding at the membrane interface, the structure of Nogo-66 requires interactions with a phosphocholine surface.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20351248 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vasudevan Sheeja V. . 2 Schulz Jessica . . 3 Zhou Chunyi . . 4 Cocco Melanie J. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 107 _Journal_issue 15 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6847 _Page_last 6851 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NOGO _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NOGO $NOGO 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_NOGO _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NOGO _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 79 _Mol_residue_sequence ; MHHHHHHLVPRGMRIYKGVI QAIQKSDEGHPFRAYLESEV AISEELVQKYSNSALGHVNS TIKELRRLFLVDDLVDSLK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 LEU 9 VAL 10 PRO 11 ARG 12 GLY 13 MET 14 ARG 15 ILE 16 TYR 17 LYS 18 GLY 19 VAL 20 ILE 21 GLN 22 ALA 23 ILE 24 GLN 25 LYS 26 SER 27 ASP 28 GLU 29 GLY 30 HIS 31 PRO 32 PHE 33 ARG 34 ALA 35 TYR 36 LEU 37 GLU 38 SER 39 GLU 40 VAL 41 ALA 42 ILE 43 SER 44 GLU 45 GLU 46 LEU 47 VAL 48 GLN 49 LYS 50 TYR 51 SER 52 ASN 53 SER 54 ALA 55 LEU 56 GLY 57 HIS 58 VAL 59 ASN 60 SER 61 THR 62 ILE 63 LYS 64 GLU 65 LEU 66 ARG 67 ARG 68 LEU 69 PHE 70 LEU 71 VAL 72 ASP 73 ASP 74 LEU 75 VAL 76 ASP 77 SER 78 LEU 79 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 16257 Nogo66_at_pH4.0 100.00 79 100.00 100.00 5.77e-49 PDB 2G31 "Human Nogo-A Functional Domain: Nogo60" 75.95 60 98.33 98.33 1.23e-33 PDB 2JV5 Nogo54 68.35 54 98.15 98.15 7.93e-29 PDB 2KO2 Nogo66 100.00 79 100.00 100.00 5.77e-49 DBJ BAA74909 "KIAA0886 protein [Homo sapiens]" 83.54 1233 98.48 98.48 2.97e-33 DBJ BAA83712 "ASY [Homo sapiens]" 83.54 373 98.48 98.48 1.33e-35 DBJ BAB18927 "RTN-xL [Homo sapiens]" 83.54 1192 98.48 98.48 1.62e-33 DBJ BAB18928 "RTN-xS [Homo sapiens]" 83.54 373 98.48 98.48 1.33e-35 DBJ BAC75974 "Nogo-A [Mus musculus]" 83.54 578 100.00 100.00 4.42e-34 EMBL CAB71027 "Nogo-A protein [Rattus norvegicus]" 83.54 1163 100.00 100.00 3.78e-34 EMBL CAB71028 "Nogo-B protein [Rattus norvegicus]" 83.54 360 100.00 100.00 1.94e-36 EMBL CAB99248 "Nogo-A protein [Homo sapiens]" 83.54 1192 98.48 98.48 1.59e-33 EMBL CAB99249 "Nogo-B protein [Homo sapiens]" 83.54 373 98.48 98.48 1.33e-35 EMBL CAH93187 "hypothetical protein [Pongo abelii]" 83.54 199 98.48 98.48 6.04e-37 GB AAD31019 "foocen-m2 [Rattus norvegicus]" 83.54 379 100.00 100.00 2.57e-36 GB AAD31020 "foocen-m1 [Rattus norvegicus]" 83.54 358 100.00 100.00 1.88e-36 GB AAD31021 "foocen-m [Homo sapiens]" 83.54 373 98.48 98.48 1.33e-35 GB AAG12176 "reticulon 4a [Homo sapiens]" 83.54 1192 98.48 98.48 1.62e-33 GB AAG12177 "reticulon 4b [Homo sapiens]" 83.54 373 98.48 98.48 1.33e-35 REF NP_001106692 "reticulon-4 isoform 2 [Bos taurus]" 83.54 379 98.48 98.48 1.45e-35 REF NP_001126875 "reticulon-4 [Pongo abelii]" 83.54 199 98.48 98.48 6.04e-37 REF NP_001192056 "reticulon 4 [Macaca mulatta]" 83.54 1193 96.97 98.48 5.09e-33 REF NP_065393 "reticulon-4 isoform A [Homo sapiens]" 83.54 1192 98.48 98.48 1.62e-33 REF NP_114019 "reticulon-4 [Rattus norvegicus]" 83.54 1163 100.00 100.00 3.78e-34 SP Q99P72 "RecName: Full=Reticulon-4; AltName: Full=Neurite outgrowth inhibitor; Short=Nogo protein" 83.54 1162 100.00 100.00 6.08e-34 SP Q9JK11 "RecName: Full=Reticulon-4; AltName: Full=Foocen; AltName: Full=Glut4 vesicle 20 kDa protein; AltName: Full=Neurite outgrowth in" 83.54 1163 100.00 100.00 3.78e-34 SP Q9NQC3 "RecName: Full=Reticulon-4; AltName: Full=Foocen; AltName: Full=Neurite outgrowth inhibitor; Short=Nogo protein; AltName: Full=N" 83.54 1192 98.48 98.48 1.62e-33 TPG DAA24679 "TPA: reticulon 4 isoform 2 [Bos taurus]" 83.54 379 98.48 98.48 1.45e-35 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NOGO Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $NOGO 'recombinant technology' . Escherichia coli BL21 pET28b 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 $NOGO 0.5-1.0 mM 'natural abundance' $NOGO 0.5-1.0 mM '[U-100% 15N]' $NOGO 0.5 mM '[U-100% 13C]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.20 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' ; Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health Bethesda, Maryland MD 20892-0510 ; xplor-nih@nmr.cit.nih.gov stop_ loop_ _Task refinement 'structure solution' stop_ _Details 'XPLOR-NIH is a structure determination program built on the X-PLOR program. This program includes additional tools developed at the NIH.' save_ save_ANALYSIS _Saveframe_category software _Name ANALYSIS _Version 1.0.15 loop_ _Vendor _Address _Electronic_address CCPN 'University of Cambridge, Department of Biochemistry' ccpn@mole.bio.cam.ac.uk stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details 'CcpNmr Analysis is a graphics-based interactive NMR assignment and project management program.' save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' 'National Institute of Diabetes, Digestive and Kidney Disorders, NIH' delaglio@nmrscience.com stop_ loop_ _Task processing stop_ _Details 'NMRDraw is the companion graphical interface for NMRPipe and its processing tools.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_DQF-COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_ save_3D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _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 'ionic strength' 0.0 . M pH 4.0 . pH pressure 1 . atm temperature 308.15 . 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 0.0 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 external direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 external 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 $ANALYSIS stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '3D 1H-13C NOESY' '3D HCCH-TOCSY' '3D HNCACB' '3D HN(CO)CA' '3D HNCO' 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 NOGO _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 11 11 ARG C C 177.986 0.000 1 2 11 11 ARG CA C 58.210 0.000 1 3 11 11 ARG CB C 30.766 0.000 1 4 12 12 GLY H H 8.749 0.021 1 5 12 12 GLY HA2 H 3.847 0.001 1 6 12 12 GLY CA C 47.086 0.000 1 7 12 12 GLY N N 107.535 0.130 1 8 13 13 MET H H 8.290 0.007 1 9 13 13 MET HA H 4.460 0.001 1 10 13 13 MET HB2 H 2.183 0.001 1 11 13 13 MET HB3 H 2.183 0.001 1 12 13 13 MET HG2 H 2.627 0.003 2 13 13 13 MET HG3 H 2.716 0.000 2 14 13 13 MET CA C 57.410 0.000 1 15 13 13 MET N N 119.416 0.049 1 16 14 14 ARG H H 8.086 0.012 1 17 14 14 ARG HA H 4.165 0.008 1 18 14 14 ARG HB2 H 1.985 0.010 1 19 14 14 ARG HB3 H 1.985 0.010 1 20 14 14 ARG HD2 H 3.275 0.010 1 21 14 14 ARG HD3 H 3.285 0.000 1 22 14 14 ARG HG2 H 1.695 0.021 2 23 14 14 ARG HG3 H 1.784 0.019 2 24 14 14 ARG CA C 58.998 0.022 1 25 14 14 ARG CB C 30.101 0.009 1 26 14 14 ARG CG C 27.786 0.000 1 27 14 14 ARG N N 119.452 0.140 1 28 15 15 ILE H H 7.901 0.012 1 29 15 15 ILE HA H 3.874 0.013 1 30 15 15 ILE HB H 2.055 0.014 1 31 15 15 ILE HG12 H 1.233 0.006 2 32 15 15 ILE HG13 H 1.720 0.005 2 33 15 15 ILE HG2 H 0.922 0.007 1 34 15 15 ILE CA C 64.259 0.000 1 35 15 15 ILE CB C 37.936 0.032 1 36 15 15 ILE N N 119.397 0.127 1 37 16 16 TYR H H 8.115 0.011 1 38 16 16 TYR HA H 4.167 0.012 1 39 16 16 TYR HB2 H 3.113 0.007 2 40 16 16 TYR HB3 H 3.248 0.006 2 41 16 16 TYR HD1 H 7.022 0.009 3 42 16 16 TYR HD2 H 7.022 0.009 3 43 16 16 TYR HE1 H 6.779 0.006 3 44 16 16 TYR HE2 H 6.779 0.006 3 45 16 16 TYR CA C 61.293 0.093 1 46 16 16 TYR CB C 38.750 0.000 1 47 16 16 TYR N N 120.219 0.085 1 48 17 17 LYS H H 8.288 0.008 1 49 17 17 LYS HA H 4.479 0.008 1 50 17 17 LYS CA C 59.322 0.048 1 51 17 17 LYS CB C 32.242 0.000 1 52 17 17 LYS N N 117.230 0.108 1 53 18 18 GLY H H 8.055 0.011 1 54 18 18 GLY HA2 H 3.841 0.005 2 55 18 18 GLY HA3 H 3.972 0.004 2 56 18 18 GLY CA C 47.012 0.116 1 57 18 18 GLY N N 106.805 0.054 1 58 19 19 VAL H H 8.294 0.012 1 59 19 19 VAL HA H 3.715 0.011 1 60 19 19 VAL HB H 2.267 0.011 1 61 19 19 VAL HG1 H 0.940 0.010 2 62 19 19 VAL HG2 H 1.101 0.008 2 63 19 19 VAL CA C 66.598 0.089 1 64 19 19 VAL CB C 31.578 0.069 1 65 19 19 VAL CG1 C 23.270 0.035 1 66 19 19 VAL CG2 C 23.234 0.000 1 67 19 19 VAL N N 122.660 0.121 1 68 20 20 ILE H H 7.924 0.006 1 69 20 20 ILE HA H 3.684 0.014 1 70 20 20 ILE HB H 1.887 0.009 1 71 20 20 ILE HD1 H 0.690 0.009 1 72 20 20 ILE HG12 H 1.164 0.012 2 73 20 20 ILE HG13 H 1.350 0.013 2 74 20 20 ILE HG2 H 0.856 0.009 1 75 20 20 ILE CA C 64.222 0.015 1 76 20 20 ILE CB C 36.737 0.046 1 77 20 20 ILE CD1 C 12.039 0.052 1 78 20 20 ILE CG1 C 28.725 0.000 1 79 20 20 ILE CG2 C 17.924 0.083 1 80 20 20 ILE N N 118.359 0.093 1 81 21 21 GLN H H 7.995 0.014 1 82 21 21 GLN HA H 3.984 0.008 1 83 21 21 GLN HB2 H 2.116 0.008 2 84 21 21 GLN HB3 H 2.215 0.016 2 85 21 21 GLN HE21 H 6.791 0.012 1 86 21 21 GLN HE22 H 7.429 0.002 1 87 21 21 GLN HG2 H 2.425 0.012 2 88 21 21 GLN HG3 H 2.556 0.011 2 89 21 21 GLN C C 177.944 0.000 1 90 21 21 GLN CA C 58.808 0.037 1 91 21 21 GLN CB C 28.649 0.002 1 92 21 21 GLN CG C 34.460 0.000 1 93 21 21 GLN N N 118.160 0.113 1 94 21 21 GLN NE2 N 110.829 0.119 1 95 22 22 ALA H H 7.795 0.015 1 96 22 22 ALA HA H 4.170 0.013 1 97 22 22 ALA HB H 1.557 0.009 1 98 22 22 ALA CA C 54.813 0.036 1 99 22 22 ALA CB C 18.630 0.045 1 100 22 22 ALA N N 121.258 0.114 1 101 23 23 ILE HA H 4.497 0.005 1 102 23 23 ILE HB H 1.895 0.004 1 103 23 23 ILE HD1 H 0.672 0.000 1 104 23 23 ILE HG12 H 1.169 0.010 2 105 23 23 ILE HG13 H 0.878 0.000 1 106 23 23 ILE HG2 H 0.861 0.000 1 107 23 23 ILE CA C 64.530 0.023 1 108 23 23 ILE CG2 C 17.633 0.000 1 109 25 25 LYS H H 8.128 0.001 1 110 25 25 LYS HA H 4.261 0.007 1 111 25 25 LYS HB2 H 1.953 0.000 1 112 25 25 LYS HB3 H 1.953 0.000 1 113 25 25 LYS HD2 H 1.721 0.000 1 114 25 25 LYS HD3 H 1.721 0.000 1 115 25 25 LYS HE2 H 3.011 0.009 1 116 25 25 LYS HE3 H 3.017 0.006 1 117 25 25 LYS HG2 H 1.499 0.000 1 118 25 25 LYS N N 119.007 0.027 1 119 26 26 SER H H 7.898 0.016 1 120 26 26 SER HA H 4.445 0.004 1 121 26 26 SER HB2 H 3.987 0.011 1 122 26 26 SER HB3 H 3.986 0.010 1 123 26 26 SER C C 174.566 0.000 1 124 26 26 SER CA C 59.533 0.053 1 125 26 26 SER CB C 64.072 0.080 1 126 26 26 SER N N 115.535 0.084 1 127 27 27 ASP H H 8.332 0.009 1 128 27 27 ASP HA H 4.680 0.008 1 129 27 27 ASP HB2 H 2.794 0.026 2 130 27 27 ASP HB3 H 2.827 0.007 2 131 27 27 ASP C C 176.156 0.000 1 132 27 27 ASP CA C 54.125 0.058 1 133 27 27 ASP CB C 40.167 0.039 1 134 27 27 ASP N N 120.820 0.088 1 135 28 28 GLU H H 8.176 0.012 1 136 28 28 GLU HA H 4.258 0.012 1 137 28 28 GLU HB2 H 2.026 0.016 2 138 28 28 GLU HB3 H 2.142 0.015 2 139 28 28 GLU HG2 H 2.417 0.012 1 140 28 28 GLU HG3 H 2.415 0.014 1 141 28 28 GLU C C 176.622 0.000 1 142 28 28 GLU CA C 56.868 0.004 1 143 28 28 GLU CB C 29.250 0.000 1 144 28 28 GLU CG C 34.759 0.000 1 145 28 28 GLU N N 119.365 0.140 1 146 29 29 GLY H H 8.353 0.010 1 147 29 29 GLY HA2 H 3.896 0.006 1 148 29 29 GLY CA C 45.583 0.087 1 149 29 29 GLY N N 107.963 0.095 1 150 30 30 HIS H H 8.284 0.006 1 151 30 30 HIS HA H 5.008 0.011 1 152 30 30 HIS HB2 H 3.184 0.006 2 153 30 30 HIS HB3 H 3.292 0.002 2 154 30 30 HIS HD2 H 7.361 0.004 1 155 30 30 HIS CA C 54.938 0.000 1 156 30 30 HIS CB C 28.537 0.000 1 157 30 30 HIS N N 117.233 0.166 1 158 31 31 PRO HA H 4.444 0.005 1 159 31 31 PRO HB2 H 2.178 0.011 1 160 31 31 PRO HB3 H 2.178 0.011 1 161 31 31 PRO HD2 H 3.685 0.005 1 162 31 31 PRO HD3 H 3.884 0.007 2 163 31 31 PRO HG2 H 1.028 0.005 1 164 31 31 PRO HG3 H 1.028 0.005 1 165 31 31 PRO CA C 64.590 0.097 1 166 31 31 PRO CD C 50.456 0.082 1 167 32 32 PHE H H 8.662 0.011 1 168 32 32 PHE HA H 4.579 0.010 1 169 32 32 PHE HB2 H 3.202 0.012 2 170 32 32 PHE HB3 H 3.408 0.014 2 171 32 32 PHE HE1 H 7.311 0.003 3 172 32 32 PHE HE2 H 7.311 0.003 3 173 32 32 PHE CA C 60.251 0.091 1 174 32 32 PHE CB C 38.767 0.051 1 175 32 32 PHE N N 120.762 0.032 1 176 33 33 ARG H H 8.547 0.014 1 177 33 33 ARG HA H 3.876 0.007 1 178 33 33 ARG HB2 H 1.995 0.009 1 179 33 33 ARG HB3 H 1.995 0.008 1 180 33 33 ARG HD2 H 3.215 0.009 1 181 33 33 ARG HD3 H 3.221 0.015 1 182 33 33 ARG HG2 H 1.722 0.024 1 183 33 33 ARG HG3 H 1.712 0.024 1 184 33 33 ARG CA C 60.072 0.066 1 185 33 33 ARG CB C 30.271 0.071 1 186 33 33 ARG CG C 27.719 0.043 1 187 33 33 ARG N N 119.746 0.092 1 188 34 34 ALA H H 8.006 0.021 1 189 34 34 ALA HA H 4.171 0.010 1 190 34 34 ALA HB H 1.447 0.012 1 191 34 34 ALA CA C 54.897 0.017 1 192 34 34 ALA CB C 18.297 0.058 1 193 34 34 ALA N N 120.030 0.085 1 194 35 35 TYR H H 7.847 0.018 1 195 35 35 TYR HA H 4.338 0.007 1 196 35 35 TYR HB2 H 3.108 0.011 2 197 35 35 TYR HB3 H 3.191 0.007 2 198 35 35 TYR HD1 H 7.057 0.006 3 199 35 35 TYR HD2 H 7.057 0.006 3 200 35 35 TYR HE1 H 6.779 0.004 3 201 35 35 TYR HE2 H 6.779 0.004 3 202 35 35 TYR CA C 60.852 0.041 1 203 35 35 TYR CB C 38.482 0.011 1 204 35 35 TYR N N 118.882 0.121 1 205 36 36 LEU H H 8.070 0.009 1 206 36 36 LEU HA H 3.923 0.014 1 207 36 36 LEU HB2 H 1.594 0.008 2 208 36 36 LEU HB3 H 1.790 0.020 2 209 36 36 LEU HD1 H 0.914 0.015 1 210 36 36 LEU HD2 H 0.914 0.015 1 211 36 36 LEU HG H 1.598 0.005 1 212 36 36 LEU CA C 57.795 0.084 1 213 36 36 LEU CB C 42.071 0.129 1 214 36 36 LEU CD1 C 25.778 0.087 1 215 36 36 LEU CD2 C 25.778 0.087 1 216 36 36 LEU N N 118.851 0.183 1 217 37 37 GLU H H 8.295 0.008 1 218 37 37 GLU HA H 4.000 0.010 1 219 37 37 GLU HB2 H 2.189 0.015 1 220 37 37 GLU HB3 H 2.195 0.015 1 221 37 37 GLU HG2 H 2.430 0.007 2 222 37 37 GLU HG3 H 2.636 0.010 2 223 37 37 GLU C C 178.264 0.000 1 224 37 37 GLU CA C 59.251 0.047 1 225 37 37 GLU CB C 28.555 0.070 1 226 37 37 GLU CG C 34.800 0.009 1 227 37 37 GLU N N 116.387 0.098 1 228 38 38 SER H H 7.897 0.022 1 229 38 38 SER HA H 4.359 0.016 1 230 38 38 SER HB2 H 4.015 0.006 1 231 38 38 SER HB3 H 4.013 0.008 1 232 38 38 SER C C 175.764 0.000 1 233 38 38 SER CA C 60.984 0.070 1 234 38 38 SER CB C 63.327 0.126 1 235 38 38 SER N N 114.377 0.129 1 236 39 39 GLU H H 7.898 0.010 1 237 39 39 GLU HA H 4.344 0.012 1 238 39 39 GLU HB2 H 2.154 0.016 1 239 39 39 GLU HB3 H 1.973 0.005 1 240 39 39 GLU HG2 H 2.150 0.010 2 241 39 39 GLU HG3 H 2.294 0.003 2 242 39 39 GLU CA C 57.398 0.087 1 243 39 39 GLU CB C 28.536 0.062 1 244 39 39 GLU CG C 32.508 0.038 1 245 39 39 GLU N N 119.899 0.072 1 246 40 40 VAL H H 8.083 0.011 1 247 40 40 VAL HA H 3.787 0.006 1 248 40 40 VAL HB H 2.215 0.015 1 249 40 40 VAL HG1 H 0.985 0.017 2 250 40 40 VAL HG2 H 1.034 0.019 2 251 40 40 VAL CA C 65.324 0.055 1 252 40 40 VAL CB C 31.993 0.039 1 253 40 40 VAL N N 119.498 0.089 1 254 41 41 ALA H H 8.004 0.011 1 255 41 41 ALA HA H 4.252 0.012 1 256 41 41 ALA HB H 1.520 0.007 1 257 41 41 ALA C C 179.571 0.000 1 258 41 41 ALA CA C 54.659 0.065 1 259 41 41 ALA CB C 18.415 0.091 1 260 41 41 ALA N N 123.210 0.104 1 261 42 42 ILE H H 7.909 0.008 1 262 42 42 ILE HA H 4.098 0.010 1 263 42 42 ILE HB H 1.972 0.010 1 264 42 42 ILE HD1 H 0.908 0.011 1 265 42 42 ILE HG12 H 1.301 0.010 2 266 42 42 ILE HG13 H 1.672 0.007 2 267 42 42 ILE HG2 H 1.001 0.009 1 268 42 42 ILE CA C 62.912 0.041 1 269 42 42 ILE CB C 38.517 0.066 1 270 42 42 ILE CD1 C 13.790 0.006 1 271 42 42 ILE CG1 C 28.715 0.074 1 272 42 42 ILE CG2 C 17.899 0.048 1 273 42 42 ILE N N 117.558 0.057 1 274 43 43 SER H H 7.945 0.015 1 275 43 43 SER HA H 4.308 0.011 1 276 43 43 SER HB2 H 3.900 0.006 1 277 43 43 SER HB3 H 3.909 0.013 1 278 43 43 SER CA C 61.273 0.099 1 279 43 43 SER CB C 63.699 0.039 1 280 43 43 SER N N 117.700 0.066 1 281 44 44 GLU H H 8.492 0.011 1 282 44 44 GLU HA H 3.995 0.006 1 283 44 44 GLU HB2 H 2.157 0.012 2 284 44 44 GLU HB3 H 2.251 0.009 2 285 44 44 GLU HG2 H 2.423 0.007 2 286 44 44 GLU HG3 H 2.631 0.008 2 287 44 44 GLU C C 175.544 0.000 1 288 44 44 GLU CA C 59.498 0.000 1 289 44 44 GLU CB C 28.275 0.069 1 290 44 44 GLU CG C 34.110 0.000 1 291 44 44 GLU N N 121.129 0.058 1 292 45 45 GLU CB C 28.502 0.000 1 293 46 46 LEU H H 7.993 0.000 1 294 46 46 LEU HD1 H 0.932 0.000 1 295 46 46 LEU HD2 H 0.932 0.000 1 296 46 46 LEU CA C 58.018 0.000 1 297 46 46 LEU CB C 42.322 0.000 1 298 46 46 LEU N N 119.940 0.000 1 299 47 47 VAL H H 8.022 0.008 1 300 47 47 VAL HA H 3.696 0.014 1 301 47 47 VAL HB H 2.279 0.009 1 302 47 47 VAL HG1 H 1.016 0.005 2 303 47 47 VAL HG2 H 1.110 0.010 2 304 47 47 VAL CA C 66.637 0.048 1 305 47 47 VAL CB C 31.705 0.042 1 306 47 47 VAL CG1 C 21.741 0.104 1 307 47 47 VAL N N 117.418 0.057 1 308 48 48 GLN H H 8.072 0.010 1 309 48 48 GLN HA H 4.167 0.013 1 310 48 48 GLN HB2 H 2.175 0.007 2 311 48 48 GLN HB3 H 2.263 0.020 2 312 48 48 GLN HG2 H 2.456 0.021 2 313 48 48 GLN HG3 H 2.566 0.005 2 314 48 48 GLN CA C 59.076 0.079 1 315 48 48 GLN CB C 28.663 0.029 1 316 48 48 GLN CG C 33.823 0.031 1 317 48 48 GLN N N 118.632 0.094 1 318 49 49 LYS H H 7.928 0.012 1 319 49 49 LYS HA H 4.085 0.024 1 320 49 49 LYS HD2 H 1.494 0.000 1 321 49 49 LYS HD3 H 1.497 0.003 1 322 49 49 LYS HE2 H 2.904 0.003 1 323 49 49 LYS HE3 H 2.912 0.013 1 324 49 49 LYS HG2 H 1.033 0.014 2 325 49 49 LYS HG3 H 1.334 0.015 2 326 49 49 LYS C C 178.485 0.000 1 327 49 49 LYS CA C 58.885 0.056 1 328 49 49 LYS CB C 32.875 0.063 1 329 49 49 LYS CE C 41.824 0.069 1 330 49 49 LYS CG C 25.049 0.103 1 331 49 49 LYS N N 118.459 0.090 1 332 50 50 TYR H H 7.986 0.015 1 333 50 50 TYR HA H 4.671 0.008 1 334 50 50 TYR HB2 H 2.889 0.008 2 335 50 50 TYR HB3 H 3.283 0.006 2 336 50 50 TYR HD1 H 7.227 0.009 3 337 50 50 TYR HD2 H 7.227 0.009 3 338 50 50 TYR HE1 H 6.832 0.005 3 339 50 50 TYR HE2 H 6.832 0.005 3 340 50 50 TYR C C 176.920 0.000 1 341 50 50 TYR CA C 59.687 0.043 1 342 50 50 TYR CB C 39.248 0.079 1 343 50 50 TYR N N 116.315 0.145 1 344 51 51 SER H H 8.147 0.011 1 345 51 51 SER HA H 4.191 0.008 1 346 51 51 SER HB2 H 4.022 0.012 1 347 51 51 SER C C 175.237 0.000 1 348 51 51 SER CA C 61.734 0.047 1 349 51 51 SER CB C 63.211 0.051 1 350 51 51 SER N N 115.863 0.181 1 351 52 52 ASN H H 8.327 0.009 1 352 52 52 ASN HA H 4.682 0.008 1 353 52 52 ASN HB2 H 2.912 0.004 1 354 52 52 ASN HB3 H 2.905 0.008 1 355 52 52 ASN HD21 H 6.948 0.002 1 356 52 52 ASN HD22 H 7.661 0.003 1 357 52 52 ASN C C 177.021 0.000 1 358 52 52 ASN CA C 55.492 0.000 1 359 52 52 ASN CB C 38.791 0.032 1 360 52 52 ASN N N 119.372 0.129 1 361 52 52 ASN ND2 N 112.565 0.175 1 362 53 53 SER H H 8.118 0.017 1 363 53 53 SER HA H 4.488 0.013 1 364 53 53 SER HB2 H 4.054 0.012 1 365 53 53 SER C C 175.904 0.000 1 366 53 53 SER CA C 60.158 0.008 1 367 53 53 SER CB C 63.715 0.082 1 368 53 53 SER N N 115.300 0.092 1 369 54 54 ALA H H 8.391 0.010 1 370 54 54 ALA HA H 4.252 0.010 1 371 54 54 ALA HB H 1.514 0.007 1 372 54 54 ALA C C 178.735 0.000 1 373 54 54 ALA CA C 54.777 0.045 1 374 54 54 ALA CB C 19.188 0.091 1 375 54 54 ALA N N 124.269 0.056 1 376 55 55 LEU H H 8.228 0.009 1 377 55 55 LEU HA H 4.162 0.007 1 378 55 55 LEU HB2 H 1.698 0.008 2 379 55 55 LEU HB3 H 1.843 0.006 2 380 55 55 LEU HD1 H 0.916 0.009 2 381 55 55 LEU HD1 H 1.014 0.000 1 382 55 55 LEU HD2 H 0.988 0.018 2 383 55 55 LEU HD2 H 1.014 0.000 1 384 55 55 LEU C C 178.616 0.000 1 385 55 55 LEU CA C 57.263 0.096 1 386 55 55 LEU CB C 41.624 0.054 1 387 55 55 LEU CD1 C 24.725 0.000 2 388 55 55 LEU CD2 C 25.345 0.000 2 389 55 55 LEU N N 117.462 0.101 1 390 56 56 GLY H H 8.185 0.019 1 391 56 56 GLY HA2 H 3.971 0.007 1 392 56 56 GLY C C 175.580 0.000 1 393 56 56 GLY CA C 46.634 0.042 1 394 56 56 GLY N N 106.693 0.077 1 395 57 57 HIS H H 8.109 0.011 1 396 57 57 HIS HA H 4.842 0.013 1 397 57 57 HIS HB2 H 3.297 0.008 2 398 57 57 HIS HB3 H 3.398 0.015 2 399 57 57 HIS HD2 H 7.448 0.007 1 400 57 57 HIS C C 176.455 0.000 1 401 57 57 HIS CA C 56.669 0.076 1 402 57 57 HIS CB C 28.996 0.044 1 403 57 57 HIS N N 117.616 0.086 1 404 58 58 VAL H H 8.221 0.013 1 405 58 58 VAL HA H 3.891 0.011 1 406 58 58 VAL HB H 2.344 0.008 1 407 58 58 VAL HG1 H 1.030 0.015 2 408 58 58 VAL HG2 H 1.124 0.010 2 409 58 58 VAL C C 176.629 0.000 1 410 58 58 VAL CA C 65.893 0.079 1 411 58 58 VAL CB C 31.960 0.061 1 412 58 58 VAL CG1 C 21.812 0.006 2 413 58 58 VAL CG2 C 22.677 0.079 2 414 58 58 VAL N N 121.032 0.115 1 415 59 59 ASN H H 8.552 0.015 1 416 59 59 ASN HA H 4.516 0.010 1 417 59 59 ASN HB2 H 2.871 0.015 2 418 59 59 ASN HB3 H 2.938 0.013 2 419 59 59 ASN HD21 H 6.865 0.002 1 420 59 59 ASN HD22 H 7.629 0.006 1 421 59 59 ASN C C 177.593 0.000 1 422 59 59 ASN CA C 56.450 0.078 1 423 59 59 ASN CB C 38.585 0.059 1 424 59 59 ASN N N 119.755 0.134 1 425 59 59 ASN ND2 N 111.580 0.056 1 426 60 60 SER H H 8.378 0.010 1 427 60 60 SER HA H 4.274 0.018 1 428 60 60 SER HB2 H 4.040 0.010 1 429 60 60 SER HB3 H 4.042 0.010 1 430 60 60 SER C C 177.510 0.000 1 431 60 60 SER CA C 61.310 0.098 1 432 60 60 SER CB C 62.767 0.006 1 433 60 60 SER N N 114.999 0.109 1 434 61 61 THR H H 7.994 0.011 1 435 61 61 THR HA H 4.056 0.010 1 436 61 61 THR HB H 4.338 0.014 1 437 61 61 THR C C 176.080 0.000 1 438 61 61 THR CA C 67.152 0.114 1 439 61 61 THR CB C 68.310 0.051 1 440 61 61 THR N N 120.110 0.103 1 441 62 62 ILE H H 8.361 0.016 1 442 62 62 ILE HA H 3.712 0.011 1 443 62 62 ILE HB H 2.101 0.012 1 444 62 62 ILE HD1 H 0.911 0.010 1 445 62 62 ILE HG12 H 1.264 0.015 2 446 62 62 ILE HG13 H 1.774 0.017 2 447 62 62 ILE HG2 H 0.960 0.020 1 448 62 62 ILE C C 177.364 0.000 1 449 62 62 ILE CA C 65.283 0.068 1 450 62 62 ILE CB C 37.272 0.048 1 451 62 62 ILE CD1 C 13.290 0.096 1 452 62 62 ILE CG1 C 29.218 0.026 1 453 62 62 ILE CG2 C 17.880 0.097 1 454 62 62 ILE N N 121.306 0.083 1 455 63 63 LYS H H 7.877 0.010 1 456 63 63 LYS HA H 3.982 0.006 1 457 63 63 LYS HB2 H 1.989 0.010 1 458 63 63 LYS HB3 H 2.243 0.015 2 459 63 63 LYS HG2 H 1.476 0.012 2 460 63 63 LYS HG3 H 1.676 0.007 2 461 63 63 LYS C C 179.267 0.000 1 462 63 63 LYS CA C 60.213 0.042 1 463 63 63 LYS CB C 32.485 0.131 1 464 63 63 LYS CG C 25.671 0.052 1 465 63 63 LYS N N 118.875 0.076 1 466 64 64 GLU H H 7.790 0.010 1 467 64 64 GLU HA H 4.297 0.016 1 468 64 64 GLU HB2 H 2.215 0.015 2 469 64 64 GLU HB3 H 2.315 0.011 2 470 64 64 GLU HG2 H 2.534 0.016 1 471 64 64 GLU HG3 H 2.505 0.025 1 472 64 64 GLU CA C 58.339 0.061 1 473 64 64 GLU CB C 28.471 0.057 1 474 64 64 GLU CG C 33.583 0.070 1 475 64 64 GLU N N 118.587 0.052 1 476 65 65 LEU H H 8.334 0.016 1 477 65 65 LEU HA H 4.105 0.008 1 478 65 65 LEU HB2 H 1.540 0.009 2 479 65 65 LEU HB3 H 2.005 0.014 2 480 65 65 LEU HD1 H 0.923 0.008 1 481 65 65 LEU CA C 58.005 0.072 1 482 65 65 LEU CB C 41.922 0.073 1 483 65 65 LEU CD1 C 23.464 0.065 1 484 65 65 LEU CD2 C 23.405 0.000 1 485 65 65 LEU N N 119.503 0.169 1 486 66 66 ARG H H 8.286 0.008 1 487 66 66 ARG HA H 3.975 0.009 1 488 66 66 ARG HD2 H 3.219 0.006 1 489 66 66 ARG HD3 H 3.228 0.015 1 490 66 66 ARG HG2 H 1.684 0.014 2 491 66 66 ARG HG3 H 1.846 0.002 2 492 66 66 ARG CA C 59.640 0.000 1 493 66 66 ARG CB C 30.323 0.000 1 494 66 66 ARG CG C 28.321 0.000 1 495 66 66 ARG N N 117.108 0.107 1 496 67 67 ARG H H 7.636 0.014 1 497 67 67 ARG HA H 4.159 0.009 1 498 67 67 ARG HB2 H 1.997 0.013 1 499 67 67 ARG HB3 H 2.001 0.015 1 500 67 67 ARG HD2 H 3.258 0.014 1 501 67 67 ARG HD3 H 3.255 0.013 1 502 67 67 ARG HG2 H 1.683 0.016 2 503 67 67 ARG HG3 H 1.816 0.008 2 504 67 67 ARG CA C 58.730 0.009 1 505 67 67 ARG CB C 30.094 0.106 1 506 67 67 ARG CD C 43.193 0.000 1 507 67 67 ARG CG C 27.678 0.065 1 508 67 67 ARG N N 117.744 0.074 1 509 68 68 LEU H H 7.966 0.008 1 510 68 68 LEU HA H 4.129 0.008 1 511 68 68 LEU HB2 H 1.436 0.015 2 512 68 68 LEU HB3 H 1.787 0.009 2 513 68 68 LEU HD1 H 0.919 0.014 1 514 68 68 LEU HD1 H 0.847 0.014 2 515 68 68 LEU HD2 H 0.915 0.012 1 516 68 68 LEU HD2 H 0.900 0.012 2 517 68 68 LEU CA C 57.115 0.088 1 518 68 68 LEU CB C 42.537 0.097 1 519 68 68 LEU CD1 C 23.841 0.106 2 520 68 68 LEU CD2 C 25.769 0.000 2 521 68 68 LEU N N 118.954 0.122 1 522 69 69 PHE H H 8.030 0.011 1 523 69 69 PHE HA H 4.470 0.007 1 524 69 69 PHE HB2 H 3.102 0.013 2 525 69 69 PHE HB3 H 3.293 0.013 2 526 69 69 PHE HD1 H 7.169 0.002 3 527 69 69 PHE HD2 H 7.169 0.002 3 528 69 69 PHE HE1 H 7.342 0.013 3 529 69 69 PHE HE2 H 7.342 0.013 3 530 69 69 PHE HZ H 7.248 0.004 1 531 69 69 PHE CA C 59.486 0.101 1 532 69 69 PHE CB C 39.421 0.096 1 533 69 69 PHE N N 115.739 0.058 1 534 70 70 LEU H H 7.810 0.012 1 535 70 70 LEU HA H 4.391 0.016 1 536 70 70 LEU HB2 H 1.730 0.012 2 537 70 70 LEU HB3 H 1.901 0.008 2 538 70 70 LEU HD1 H 0.989 0.005 1 539 70 70 LEU HD2 H 0.987 0.006 1 540 70 70 LEU CA C 56.121 0.086 1 541 70 70 LEU CB C 41.973 0.059 1 542 70 70 LEU N N 118.534 0.064 1 543 71 71 VAL H H 8.002 0.005 1 544 71 71 VAL HA H 3.977 0.006 1 545 71 71 VAL HB H 2.241 0.014 1 546 71 71 VAL HG1 H 0.997 0.010 2 547 71 71 VAL HG2 H 1.028 0.019 2 548 71 71 VAL CA C 64.238 0.049 1 549 71 71 VAL CB C 32.141 0.110 1 550 71 71 VAL CG1 C 21.665 0.000 1 551 71 71 VAL CG2 C 21.649 0.023 1 552 71 71 VAL N N 118.007 0.091 1 553 72 72 ASP H H 8.291 0.008 1 554 72 72 ASP HA H 4.578 0.006 1 555 72 72 ASP HB2 H 2.832 0.012 1 556 72 72 ASP HB3 H 2.828 0.014 1 557 72 72 ASP CA C 54.995 0.038 1 558 72 72 ASP CB C 39.159 0.028 1 559 72 72 ASP N N 119.419 0.058 1 560 73 73 ASP H H 8.082 0.011 1 561 73 73 ASP HA H 4.600 0.016 1 562 73 73 ASP HB2 H 2.804 0.006 2 563 73 73 ASP HB3 H 2.919 0.015 2 564 73 73 ASP C C 176.577 0.000 1 565 73 73 ASP CA C 54.732 0.002 1 566 73 73 ASP CB C 38.950 0.000 1 567 73 73 ASP N N 117.263 0.080 1 568 74 74 LEU H H 7.970 0.009 1 569 74 74 LEU HA H 4.157 0.005 1 570 74 74 LEU HB2 H 1.601 0.005 2 571 74 74 LEU HB3 H 1.690 0.008 2 572 74 74 LEU HD1 H 0.885 0.004 2 573 74 74 LEU HD2 H 1.024 0.004 2 574 74 74 LEU C C 178.326 0.000 1 575 74 74 LEU CA C 57.389 0.000 1 576 74 74 LEU CB C 42.335 0.035 1 577 74 74 LEU N N 120.349 0.081 1 578 75 75 VAL H H 8.133 0.013 1 579 75 75 VAL HA H 3.819 0.013 1 580 75 75 VAL HB H 2.217 0.008 1 581 75 75 VAL HG1 H 1.061 0.003 1 582 75 75 VAL HG1 H 1.019 0.018 1 583 75 75 VAL HG2 H 1.037 0.020 1 584 75 75 VAL C C 176.943 0.000 1 585 75 75 VAL CA C 65.015 0.071 1 586 75 75 VAL CB C 31.979 0.027 1 587 75 75 VAL CG1 C 22.231 0.163 1 588 75 75 VAL N N 116.466 0.118 1 589 76 76 ASP H H 7.978 0.010 1 590 76 76 ASP HA H 4.602 0.012 1 591 76 76 ASP HB2 H 2.833 0.009 1 592 76 76 ASP C C 176.908 0.000 1 593 76 76 ASP CA C 55.699 0.055 1 594 76 76 ASP CB C 39.755 0.006 1 595 76 76 ASP N N 118.409 0.127 1 596 77 77 SER H H 7.867 0.013 1 597 77 77 SER HA H 4.431 0.014 1 598 77 77 SER HB2 H 3.984 0.007 1 599 77 77 SER C C 174.123 0.000 1 600 77 77 SER CA C 60.216 0.069 1 601 77 77 SER CB C 63.881 0.008 1 602 77 77 SER N N 114.530 0.076 1 603 78 78 LEU H H 7.685 0.010 1 604 78 78 LEU HA H 4.390 0.012 1 605 78 78 LEU HB2 H 1.666 0.012 2 606 78 78 LEU HB3 H 1.803 0.012 2 607 78 78 LEU HD1 H 0.906 0.021 2 608 78 78 LEU HD2 H 0.925 0.016 2 609 78 78 LEU HG H 1.827 0.008 1 610 78 78 LEU C C 175.831 0.000 1 611 78 78 LEU CA C 55.133 0.024 1 612 78 78 LEU CB C 42.485 0.060 1 613 78 78 LEU CG C 26.888 0.067 1 614 78 78 LEU N N 120.898 0.167 1 615 79 79 LYS H H 7.511 0.014 1 616 79 79 LYS HA H 4.189 0.008 1 617 79 79 LYS HB2 H 1.812 0.008 2 618 79 79 LYS HB3 H 1.881 0.008 2 619 79 79 LYS HG2 H 1.496 0.012 1 620 79 79 LYS HG3 H 1.492 0.008 1 621 79 79 LYS CA C 57.390 0.000 1 622 79 79 LYS CB C 33.653 0.030 1 623 79 79 LYS CG C 25.334 0.012 1 624 79 79 LYS N N 122.412 0.095 1 stop_ save_