data_6190 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of apoCox11 ; _BMRB_accession_number 6190 _BMRB_flat_file_name bmr6190.str _Entry_type original _Submission_date 2004-04-22 _Accession_date 2004-04-22 _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 Banci L. . . 2 Bertini I. . . 3 Cantini F. . . 4 Ciofi-Baffoni S. . . 5 Gonnelli L. . . 6 Mangani S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 722 "13C chemical shifts" 330 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-06-30 original author . stop_ _Original_release_date 2004-06-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of Cox11: A novel type of beta-immunoglobulin-like fold involved in CuB site formation of cytochrome c oxidase' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15181013 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci L. . . 2 Bertini I. . . 3 Cantini F. . . 4 Ciofi-Baffoni S. . . 5 Gonnelli L. . . 6 Mangani S. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2004 _Details . loop_ _Keyword 'immunoglobulin-like fold' 'copper protein' 'cytochrome c oxidase assembly' stop_ save_ ################################## # Molecular system description # ################################## save_system_ctaG _Saveframe_category molecular_system _Mol_system_name 'Cytochrome C oxidase assembly protein ctaG' _Abbreviation_common 'Cytochrome C oxidase assembly protein ctaG' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Cytochrome C oxidase assembly protein ctaG' $ctaG stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ctaG _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Cytochrome C oxidase assembly protein ctaG' _Abbreviation_common 'Cytochrome C oxidase assembly protein ctaG' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; MVPLYDMFCRVTGYNGTTQR VEQASDLILDEKIKVTFDAN VAAGLPWEFVPVQRDIDVRI GETVQIMYRAKNLASTPTTG QATFNVTPMAAGAYFNKVQC FCFTETTLEPGEEMEMPVVF FVDPEIVKPVETQGIKTLTL SYTFYPREPSKPVAQVKAKA ENKL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -12 MET 2 -11 VAL 3 -10 PRO 4 -9 LEU 5 -8 TYR 6 -7 ASP 7 -6 MET 8 -5 PHE 9 -4 CYS 10 -3 ARG 11 -2 VAL 12 -1 THR 13 1 GLY 14 2 TYR 15 3 ASN 16 4 GLY 17 5 THR 18 6 THR 19 7 GLN 20 8 ARG 21 9 VAL 22 10 GLU 23 11 GLN 24 12 ALA 25 13 SER 26 14 ASP 27 15 LEU 28 16 ILE 29 17 LEU 30 18 ASP 31 19 GLU 32 20 LYS 33 21 ILE 34 22 LYS 35 23 VAL 36 24 THR 37 25 PHE 38 26 ASP 39 27 ALA 40 28 ASN 41 29 VAL 42 30 ALA 43 31 ALA 44 32 GLY 45 33 LEU 46 34 PRO 47 35 TRP 48 36 GLU 49 37 PHE 50 38 VAL 51 39 PRO 52 40 VAL 53 41 GLN 54 42 ARG 55 43 ASP 56 44 ILE 57 45 ASP 58 46 VAL 59 47 ARG 60 48 ILE 61 49 GLY 62 50 GLU 63 51 THR 64 52 VAL 65 53 GLN 66 54 ILE 67 55 MET 68 56 TYR 69 57 ARG 70 58 ALA 71 59 LYS 72 60 ASN 73 61 LEU 74 62 ALA 75 63 SER 76 64 THR 77 65 PRO 78 66 THR 79 67 THR 80 68 GLY 81 69 GLN 82 70 ALA 83 71 THR 84 72 PHE 85 73 ASN 86 74 VAL 87 75 THR 88 76 PRO 89 77 MET 90 78 ALA 91 79 ALA 92 80 GLY 93 81 ALA 94 82 TYR 95 83 PHE 96 84 ASN 97 85 LYS 98 86 VAL 99 87 GLN 100 88 CYS 101 89 PHE 102 90 CYS 103 91 PHE 104 92 THR 105 93 GLU 106 94 THR 107 95 THR 108 96 LEU 109 97 GLU 110 98 PRO 111 99 GLY 112 100 GLU 113 101 GLU 114 102 MET 115 103 GLU 116 104 MET 117 105 PRO 118 106 VAL 119 107 VAL 120 108 PHE 121 109 PHE 122 110 VAL 123 111 ASP 124 112 PRO 125 113 GLU 126 114 ILE 127 115 VAL 128 116 LYS 129 117 PRO 130 118 VAL 131 119 GLU 132 120 THR 133 121 GLN 134 122 GLY 135 123 ILE 136 124 LYS 137 125 THR 138 126 LEU 139 127 THR 140 128 LEU 141 129 SER 142 130 TYR 143 131 THR 144 132 PHE 145 133 TYR 146 134 PRO 147 135 ARG 148 136 GLU 149 137 PRO 150 138 SER 151 139 LYS 152 140 PRO 153 141 VAL 154 142 ALA 155 143 GLN 156 144 VAL 157 145 LYS 158 146 ALA 159 147 LYS 160 148 ALA 161 149 GLU 162 150 ASN 163 151 LYS 164 152 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-16 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1SO9 "Solution Structure Of Apocox11, 30 Structures" 100.00 164 100.00 100.00 5.30e-116 PDB 1SP0 "Solution Structure Of Apocox11" 100.00 164 100.00 100.00 5.30e-116 EMBL CAC45480 "Putative cytochrome C oxidase assembly transmembrane protein [Sinorhizobium meliloti 1021]" 99.39 198 100.00 100.00 3.25e-115 EMBL CCM66608 "cytochrome C oxidase assembly protein [Sinorhizobium meliloti Rm41]" 99.39 198 100.00 100.00 3.25e-115 EMBL CDH84806 "cytochrome C oxidase assembly protein [Sinorhizobium meliloti RU11/001]" 99.39 198 100.00 100.00 3.25e-115 GB AEG03463 "Cytochrome c oxidase assembly protein ctaG [Sinorhizobium meliloti BL225C]" 99.39 198 100.00 100.00 3.25e-115 GB AEG52377 "Cytochrome c oxidase assembly protein ctaG [Sinorhizobium meliloti AK83]" 99.39 198 100.00 100.00 3.25e-115 GB AEH77844 "cytochrome C oxidase assembly protein [Sinorhizobium meliloti SM11]" 99.39 198 100.00 100.00 3.25e-115 GB AGA05872 "Cytochrome oxidase assembly factor [Sinorhizobium meliloti GR4]" 99.39 198 100.00 100.00 3.25e-115 GB AGG73486 "Putative cytochrome C oxidase assembly transmembrane protein [Sinorhizobium meliloti 2011]" 99.39 203 100.00 100.00 2.79e-115 REF NP_385014 "cytochrome C oxidase assembly protein [Sinorhizobium meliloti 1021]" 99.39 198 100.00 100.00 3.25e-115 REF WP_003532324 "cytochrome C oxidase assembly protein [Sinorhizobium meliloti]" 99.39 198 100.00 100.00 3.40e-115 REF WP_010968908 "cytochrome C oxidase assembly protein [Sinorhizobium meliloti]" 99.39 198 100.00 100.00 3.25e-115 REF WP_015445564 "Putative cytochrome C oxidase assembly transmembrane protein [Sinorhizobium meliloti]" 99.39 203 100.00 100.00 2.79e-115 REF WP_018094447 "cytochrome C oxidase assembly protein [Sinorhizobium meliloti]" 99.39 198 97.55 100.00 1.29e-113 SP Q92RG6 "RecName: Full=Cytochrome c oxidase assembly protein CtaG [Sinorhizobium meliloti 1021]" 99.39 198 100.00 100.00 3.25e-115 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ctaG 'Sinorhizobium meliloti' 382 Bacteria . Sinorhizobium melilot 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 $ctaG 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) PET21A 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 $ctaG 1.5 mM [U-15N] DTT 5 mM . 'phosphate buffer' 20 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ctaG 1 mM '[U-95% 13C; U-98% 15N]' DTT 5 mM . 'phosphate buffer' 20 mM . H2O 90 % . D2O 10 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ctaG 2 mM '[U-95% 13C; U-98% 15N]' DTT 5 mM . 'phosphate buffer' 20 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version . loop_ _Task collection stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3 loop_ _Task 'data analysis' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0 loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 5.0 loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_2D_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ save_3D_15N-separated_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_3D_13C-separated_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_13C_(H)CCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '13C (H)CCH-TOCSY' _Sample_label . save_ save_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_CBCANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . pH temperature 298 . K 'ionic strength' 20 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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_citation_label _Correction_value_citation_label . H 1 . ppm . . . . . . $entry_citation $entry_citation . N 15 . ppm . . . . . . $entry_citation $entry_citation . C 13 . ppm . . . . . . $entry_citation $entry_citation 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Cytochrome C oxidase assembly protein ctaG' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 13 GLY N N 110.367 0.01 . 2 1 13 GLY H H 8.239 0.017 . 3 1 13 GLY HA2 H 3.819 0.007 . 4 1 13 GLY HA3 H 4.232 0.01 . 5 2 14 TYR N N 120.625 0.01 . 6 2 14 TYR H H 8.058 0.002 . 7 2 14 TYR HA H 4.404 0.01 . 8 3 15 ASN N N 122.776 0.01 . 9 3 15 ASN H H 8.321 0.01 . 10 3 15 ASN HA H 4.464 0.01 . 11 3 15 ASN HB2 H 2.693 0.01 . 12 3 15 ASN HB3 H 2.587 0.01 . 13 3 15 ASN ND2 N 111.360 0.01 . 14 3 15 ASN HD21 H 6.773 0.01 . 15 3 15 ASN HD22 H 7.456 0.01 . 16 4 16 GLY N N 107.720 0.01 . 17 4 16 GLY H H 7.596 0.001 . 18 4 16 GLY HA2 H 4.531 0.006 . 19 4 16 GLY HA3 H 3.827 0.009 . 20 5 17 THR N N 112.518 0.01 . 21 5 17 THR H H 7.968 0.005 . 22 5 17 THR HA H 4.335 0.009 . 23 5 17 THR HB H 4.130 0.01 . 24 5 17 THR HG2 H 1.111 0.01 . 25 6 18 THR N N 115.993 0.01 . 26 6 18 THR H H 8.069 0.001 . 27 6 18 THR HA H 4.242 0.003 . 28 6 18 THR HB H 4.020 0.01 . 29 6 18 THR HG2 H 1.086 0.003 . 30 7 19 GLN N N 122.776 0.01 . 31 7 19 GLN H H 8.265 0.006 . 32 7 19 GLN HA H 4.218 0.018 . 33 7 19 GLN HB2 H 1.955 0.007 . 34 7 19 GLN HB3 H 1.844 0.001 . 35 7 19 GLN HG2 H 2.211 0.001 . 36 7 19 GLN NE2 N 111.525 0.01 . 37 7 19 GLN HE21 H 7.385 0.01 . 38 7 19 GLN HE22 H 6.720 0.01 . 39 8 20 ARG N N 123.107 0.01 . 40 8 20 ARG H H 8.225 0.002 . 41 8 20 ARG CA C 55.741 0.01 . 42 8 20 ARG HA H 4.254 0.006 . 43 8 20 ARG CB C 27.832 0.01 . 44 8 20 ARG HB2 H 1.698 0.004 . 45 8 20 ARG HB3 H 1.601 0.004 . 46 8 20 ARG HG2 H 1.453 0.007 . 47 8 20 ARG HD2 H 2.760 0.01 . 48 9 21 VAL N N 122.114 0.01 . 49 9 21 VAL H H 8.144 0.006 . 50 9 21 VAL CA C 60.593 0.01 . 51 9 21 VAL HA H 3.996 0.008 . 52 9 21 VAL CB C 32.028 0.01 . 53 9 21 VAL HB H 1.857 0.008 . 54 9 21 VAL HG2 H 0.724 0.013 . 55 10 22 GLU N N 125.920 0.01 . 56 10 22 GLU H H 8.376 0.003 . 57 10 22 GLU CA C 55.205 0.01 . 58 10 22 GLU HA H 4.091 0.005 . 59 10 22 GLU HB2 H 1.867 0.01 . 60 10 22 GLU HB3 H 1.774 0.01 . 61 10 22 GLU HG2 H 2.111 0.007 . 62 11 23 GLN N N 120.956 0.01 . 63 11 23 GLN H H 8.372 0.009 . 64 11 23 GLN CA C 54.056 0.01 . 65 11 23 GLN HA H 3.946 0.009 . 66 11 23 GLN CB C 27.186 0.01 . 67 11 23 GLN HB2 H 1.984 0.010 . 68 11 23 GLN HB3 H 1.844 0.005 . 69 11 23 GLN HG2 H 2.314 0.008 . 70 11 23 GLN NE2 N 115.002 0.002 . 71 11 23 GLN HE21 H 7.495 0.009 . 72 11 23 GLN HE22 H 7.059 0.007 . 73 12 24 ALA N N 127.243 0.01 . 74 12 24 ALA H H 8.083 0.003 . 75 12 24 ALA CA C 51.310 0.01 . 76 12 24 ALA HA H 4.055 0.007 . 77 12 24 ALA HB H 1.152 0.007 . 78 12 24 ALA CB C 19.053 0.01 . 79 13 25 SER N N 112.849 0.01 . 80 13 25 SER H H 7.816 0.004 . 81 13 25 SER CA C 55.017 0.01 . 82 13 25 SER HA H 4.171 0.007 . 83 13 25 SER CB C 63.502 0.01 . 84 13 25 SER HB2 H 3.599 0.006 . 85 13 25 SER HB3 H 2.948 0.013 . 86 14 26 ASP N N 123.769 0.01 . 87 14 26 ASP H H 8.310 0.006 . 88 14 26 ASP CA C 54.123 0.01 . 89 14 26 ASP HA H 4.359 0.009 . 90 14 26 ASP CB C 37.135 0.01 . 91 14 26 ASP HB2 H 2.505 0.006 . 92 15 27 LEU N N 121.453 0.01 . 93 15 27 LEU H H 7.644 0.001 . 94 15 27 LEU CA C 53.477 0.01 . 95 15 27 LEU HA H 4.343 0.005 . 96 15 27 LEU CB C 42.678 0.01 . 97 15 27 LEU HB2 H 1.486 0.006 . 98 15 27 LEU HB3 H 1.309 0.009 . 99 15 27 LEU CG C 26.226 0.01 . 100 15 27 LEU HG H 1.214 0.013 . 101 15 27 LEU HD1 H 0.756 0.006 . 102 15 27 LEU HD2 H 0.724 0.007 . 103 16 28 ILE N N 125.093 0.01 . 104 16 28 ILE H H 8.034 0.010 . 105 16 28 ILE CA C 59.911 0.01 . 106 16 28 ILE HA H 4.264 0.009 . 107 16 28 ILE CB C 38.80 0.01 . 108 16 28 ILE HB H 1.455 0.005 . 109 16 28 ILE HG2 H 0.667 0.008 . 110 16 28 ILE CG1 C 26.133 0.01 . 111 16 28 ILE HG12 H 0.550 0.008 . 112 16 28 ILE HG13 H 1.250 0.007 . 113 16 28 ILE HD1 H 0.703 0.007 . 114 16 28 ILE CD1 C 12.456 0.01 . 115 17 29 LEU N N 126.913 0.01 . 116 17 29 LEU H H 8.795 0.009 . 117 17 29 LEU CA C 52.667 0.01 . 118 17 29 LEU HA H 4.425 0.005 . 119 17 29 LEU CB C 41.767 0.01 . 120 17 29 LEU HB2 H 1.768 0.015 . 121 17 29 LEU HB3 H 1.831 0.005 . 122 17 29 LEU CG C 26.307 0.01 . 123 17 29 LEU HG H 1.476 0.009 . 124 17 29 LEU HD1 H 0.896 0.006 . 125 17 29 LEU HD2 H 0.763 0.009 . 126 17 29 LEU CD1 C 20.900 0.01 . 127 17 29 LEU CD2 C 24.620 0.01 . 128 18 30 ASP N N 117.151 0.01 . 129 18 30 ASP H H 8.240 0.001 . 130 18 30 ASP CA C 53.813 0.01 . 131 18 30 ASP HA H 4.476 0.013 . 132 18 30 ASP CB C 39.964 0.01 . 133 18 30 ASP HB2 H 2.587 0.006 . 134 18 30 ASP HB3 H 2.404 0.006 . 135 19 31 GLU N N 119.304 0.002 . 136 19 31 GLU H H 7.395 0.004 . 137 19 31 GLU CA C 55.737 0.01 . 138 19 31 GLU HA H 4.086 0.003 . 139 19 31 GLU CB C 30.655 0.01 . 140 19 31 GLU HB2 H 1.804 0.012 . 141 19 31 GLU HB3 H 1.880 0.006 . 142 19 31 GLU CG C 35.377 0.01 . 143 19 31 GLU HG2 H 2.188 0.003 . 144 20 32 LYS N N 120.460 0.01 . 145 20 32 LYS H H 8.139 0.004 . 146 20 32 LYS CA C 53.946 0.01 . 147 20 32 LYS HA H 5.122 0.003 . 148 20 32 LYS CB C 34.942 0.01 . 149 20 32 LYS HB2 H 1.538 0.007 . 150 20 32 LYS HB3 H 1.452 0.006 . 151 20 32 LYS CG C 24.583 0.01 . 152 20 32 LYS HG2 H 1.410 0.004 . 153 20 32 LYS HG3 H 0.986 0.009 . 154 20 32 LYS CD C 28.421 0.01 . 155 20 32 LYS HD2 H 1.424 0.009 . 156 20 32 LYS HE2 H 2.798 0.012 . 157 21 33 ILE N N 119.625 0.010 . 158 21 33 ILE H H 9.046 0.007 . 159 21 33 ILE CA C 58.791 0.01 . 160 21 33 ILE HA H 4.363 0.005 . 161 21 33 ILE CB C 42.008 0.01 . 162 21 33 ILE HB H 1.393 0.005 . 163 21 33 ILE HG2 H 0.681 0.007 . 164 21 33 ILE CG1 C 22.573 0.01 . 165 21 33 ILE HG12 H 0.964 0.004 . 166 21 33 ILE HG13 H 1.379 0.003 . 167 21 33 ILE HD1 H 0.676 0.010 . 168 21 33 ILE CD1 C 13.742 0.01 . 169 22 34 LYS N N 126.416 0.01 . 170 22 34 LYS H H 7.737 0.003 . 171 22 34 LYS CA C 54.094 0.01 . 172 22 34 LYS HA H 5.152 0.007 . 173 22 34 LYS CB C 31.967 0.01 . 174 22 34 LYS HB2 H 1.747 0.007 . 175 22 34 LYS CG C 22.568 0.01 . 176 22 34 LYS HG2 H 1.117 0.006 . 177 22 34 LYS HG3 H 1.268 0.004 . 178 22 34 LYS CD C 26.944 0.01 . 179 22 34 LYS HD2 H 1.594 0.007 . 180 22 34 LYS HD3 H 1.452 0.004 . 181 22 34 LYS HE2 H 2.830 0.007 . 182 23 35 VAL N N 129.560 0.01 . 183 23 35 VAL H H 9.152 0.002 . 184 23 35 VAL HA H 4.676 0.006 . 185 23 35 VAL CB C 31.962 0.01 . 186 23 35 VAL HB H 1.882 0.009 . 187 23 35 VAL HG1 H 0.893 0.008 . 188 23 35 VAL HG2 H 0.291 0.008 . 189 23 35 VAL CG1 C 18.905 0.01 . 190 23 35 VAL CG2 C 17.788 0.01 . 191 24 36 THR N N 120.108 0.027 . 192 24 36 THR H H 8.738 0.005 . 193 24 36 THR CA C 59.393 0.01 . 194 24 36 THR HA H 4.576 0.004 . 195 24 36 THR CB C 68.919 0.01 . 196 24 36 THR HB H 4.045 0.004 . 197 24 36 THR HG2 H 1.018 0.012 . 198 24 36 THR CG2 C 20.617 0.01 . 199 25 37 PHE N N 120.460 0.01 . 200 25 37 PHE H H 7.899 0.004 . 201 25 37 PHE CA C 56.587 0.01 . 202 25 37 PHE HA H 5.440 0.007 . 203 25 37 PHE CB C 40.114 0.01 . 204 25 37 PHE HB2 H 3.278 0.010 . 205 25 37 PHE HB3 H 2.706 0.006 . 206 25 37 PHE HZ H 7.125 0.003 . 207 25 37 PHE HD1 H 7.346 0.008 . 208 25 37 PHE HE1 H 6.968 0.006 . 209 26 38 ASP N N 121.618 0.01 . 210 26 38 ASP H H 9.168 0.005 . 211 26 38 ASP CA C 51.330 0.01 . 212 26 38 ASP HA H 5.158 0.005 . 213 26 38 ASP CB C 43.968 0.01 . 214 26 38 ASP HB2 H 2.528 0.005 . 215 26 38 ASP HB3 H 2.402 0.004 . 216 27 39 ALA N N 127.740 0.01 . 217 27 39 ALA H H 8.838 0.005 . 218 27 39 ALA CA C 50.267 0.01 . 219 27 39 ALA HA H 5.300 0.007 . 220 27 39 ALA HB H 0.992 0.008 . 221 27 39 ALA CB C 23.656 0.01 . 222 28 40 ASN N N 117.813 0.01 . 223 28 40 ASN H H 8.773 0.003 . 224 28 40 ASN CA C 51.528 0.01 . 225 28 40 ASN HA H 5.231 0.007 . 226 28 40 ASN CB C 41.826 0.01 . 227 28 40 ASN HB2 H 2.915 0.009 . 228 28 40 ASN HB3 H 2.603 0.006 . 229 28 40 ASN ND2 N 113.979 0.038 . 230 28 40 ASN HD21 H 6.867 0.007 . 231 28 40 ASN HD22 H 6.685 0.004 . 232 29 41 VAL N N 120.460 0.01 . 233 29 41 VAL H H 8.797 0.005 . 234 29 41 VAL CA C 60.214 0.01 . 235 29 41 VAL HA H 4.546 0.011 . 236 29 41 VAL CB C 33.285 0.01 . 237 29 41 VAL HB H 2.063 0.005 . 238 29 41 VAL CG1 C 21.858 0.01 . 239 29 41 VAL HG1 H 1.163 0.007 . 240 30 42 ALA N N 130.718 0.01 . 241 30 42 ALA H H 8.382 0.002 . 242 30 42 ALA CA C 50.279 0.01 . 243 30 42 ALA HA H 4.184 0.004 . 244 30 42 ALA HB H 1.035 0.003 . 245 30 42 ALA CB C 20.600 0.01 . 246 31 43 ALA N N 119.613 0.01 . 247 31 43 ALA H H 8.061 0.006 . 248 31 43 ALA CA C 52.129 0.01 . 249 31 43 ALA HA H 3.942 0.008 . 250 31 43 ALA HB H 1.270 0.005 . 251 31 43 ALA CB C 17.163 0.01 . 252 32 44 GLY N N 105.735 0.01 . 253 32 44 GLY H H 8.399 0.005 . 254 32 44 GLY CA C 42.393 0.01 . 255 32 44 GLY HA2 H 3.509 0.008 . 256 32 44 GLY HA3 H 4.126 0.005 . 257 33 45 LEU N N 122.280 0.01 . 258 33 45 LEU H H 7.241 0.004 . 259 33 45 LEU HA H 4.657 0.008 . 260 33 45 LEU CB C 43.045 0.01 . 261 33 45 LEU HB2 H 1.834 0.005 . 262 33 45 LEU HB3 H 0.326 0.007 . 263 33 45 LEU CG C 21.406 0.01 . 264 33 45 LEU HG H -0.233 0.005 . 265 33 45 LEU HD1 H -0.142 0.003 . 266 33 45 LEU HD2 H -0.681 0.006 . 267 33 45 LEU CD1 C 24.812 0.01 . 268 33 45 LEU CD2 C 25.242 0.01 . 269 34 46 PRO CA C 61.491 0.01 . 270 34 46 PRO HA H 4.826 0.005 . 271 34 46 PRO CB C 27.893 0.01 . 272 34 46 PRO HB2 H 2.194 0.01 . 273 34 46 PRO HB3 H 2.141 0.01 . 274 34 46 PRO CG C 26.908 0.01 . 275 34 46 PRO HG2 H 2.478 0.01 . 276 34 46 PRO HG3 H 1.727 0.01 . 277 34 46 PRO HD2 H 3.722 0.01 . 278 34 46 PRO HD3 H 3.446 0.01 . 279 35 47 TRP N N 120.129 0.01 . 280 35 47 TRP H H 7.964 0.003 . 281 35 47 TRP CA C 51.957 0.01 . 282 35 47 TRP HA H 5.963 0.009 . 283 35 47 TRP CB C 31.844 0.01 . 284 35 47 TRP HB2 H 2.895 0.008 . 285 35 47 TRP HB3 H 2.411 0.011 . 286 35 47 TRP NE1 N 127.409 0.01 . 287 35 47 TRP HD1 H 6.733 0.009 . 288 35 47 TRP HE3 H 6.008 0.004 . 289 35 47 TRP HE1 H 10.125 0.004 . 290 35 47 TRP HZ3 H 4.104 0.005 . 291 35 47 TRP HZ2 H 6.994 0.006 . 292 35 47 TRP HH2 H 6.238 0.009 . 293 36 48 GLU N N 119.964 0.01 . 294 36 48 GLU H H 8.767 0.002 . 295 36 48 GLU HA H 4.591 0.005 . 296 36 48 GLU CB C 30.825 0.01 . 297 36 48 GLU HB2 H 1.878 0.004 . 298 36 48 GLU CG C 35.782 0.01 . 299 36 48 GLU HG2 H 2.185 0.005 . 300 36 48 GLU HG3 H 2.046 0.003 . 301 37 49 PHE N N 127.905 0.01 . 302 37 49 PHE H H 8.664 0.002 . 303 37 49 PHE CA C 54.128 0.01 . 304 37 49 PHE HA H 5.920 0.006 . 305 37 49 PHE CB C 40.406 0.01 . 306 37 49 PHE HB2 H 3.020 0.007 . 307 37 49 PHE HB3 H 2.893 0.010 . 308 37 49 PHE HZ H 6.844 0.002 . 309 37 49 PHE HD1 H 7.374 0.005 . 310 37 49 PHE HE1 H 7.174 0.007 . 311 38 50 VAL N N 119.633 0.01 . 312 38 50 VAL H H 8.566 0.001 . 313 38 50 VAL CA C 56.424 0.01 . 314 38 50 VAL HA H 4.622 0.003 . 315 38 50 VAL CB C 33.513 0.01 . 316 38 50 VAL HB H 1.922 0.008 . 317 38 50 VAL HG1 H 0.587 0.007 . 318 38 50 VAL HG2 H 0.794 0.009 . 319 38 50 VAL CG1 C 17.213 0.01 . 320 38 50 VAL CG2 C 20.409 0.01 . 321 39 51 PRO CD C 48.461 0.01 . 322 39 51 PRO CA C 62.213 0.01 . 323 39 51 PRO HA H 3.706 0.01 . 324 39 51 PRO CB C 30.663 0.01 . 325 39 51 PRO HB2 H 1.766 0.01 . 326 39 51 PRO CG C 20.100 0.01 . 327 39 51 PRO HG2 H 1.833 0.006 . 328 39 51 PRO HG3 H 1.607 0.004 . 329 39 51 PRO HD2 H 3.410 0.004 . 330 39 51 PRO HD3 H 3.529 0.006 . 331 40 52 VAL N N 122.942 0.01 . 332 40 52 VAL H H 8.093 0.004 . 333 40 52 VAL CA C 63.962 0.01 . 334 40 52 VAL HA H 3.411 0.006 . 335 40 52 VAL CB C 30.125 0.01 . 336 40 52 VAL HB H 1.779 0.004 . 337 40 52 VAL HG1 H 0.578 0.006 . 338 40 52 VAL HG2 H 0.735 0.008 . 339 40 52 VAL CG1 C 19.823 0.01 . 340 41 53 GLN N N 115.993 0.01 . 341 41 53 GLN H H 7.484 0.006 . 342 41 53 GLN HA H 4.663 0.004 . 343 41 53 GLN CB C 31.339 0.01 . 344 41 53 GLN HB2 H 2.134 0.009 . 345 41 53 GLN HB3 H 1.956 0.004 . 346 41 53 GLN HG2 H 2.258 0.010 . 347 41 53 GLN NE2 N 111.195 0.01 . 348 41 53 GLN HE21 H 6.840 0.007 . 349 41 53 GLN HE22 H 7.189 0.006 . 350 42 54 ARG N N 121.453 0.01 . 351 42 54 ARG H H 8.673 0.006 . 352 42 54 ARG CA C 56.888 0.01 . 353 42 54 ARG HA H 4.218 0.005 . 354 42 54 ARG CB C 29.419 0.01 . 355 42 54 ARG HB2 H 1.889 0.009 . 356 42 54 ARG HB3 H 1.827 0.004 . 357 42 54 ARG CG C 25.696 0.01 . 358 42 54 ARG HG2 H 1.707 0.026 . 359 42 54 ARG HG3 H 1.623 0.008 . 360 42 54 ARG CD C 41.737 0.01 . 361 42 54 ARG HD2 H 3.247 0.002 . 362 42 54 ARG HD3 H 3.193 0.01 . 363 43 55 ASP N N 112.518 0.01 . 364 43 55 ASP H H 7.753 0.005 . 365 43 55 ASP CA C 52.101 0.01 . 366 43 55 ASP HA H 5.368 0.005 . 367 43 55 ASP CB C 40.775 0.01 . 368 43 55 ASP HB2 H 2.843 0.006 . 369 43 55 ASP HB3 H 2.367 0.005 . 370 44 56 ILE N N 116.324 0.01 . 371 44 56 ILE H H 8.902 0.002 . 372 44 56 ILE CA C 60.213 0.01 . 373 44 56 ILE HA H 4.509 0.006 . 374 44 56 ILE CB C 41.502 0.01 . 375 44 56 ILE HB H 1.950 0.009 . 376 44 56 ILE HG2 H 1.135 0.004 . 377 44 56 ILE CG2 C 15.913 0.01 . 378 44 56 ILE CG1 C 27.332 0.01 . 379 44 56 ILE HG12 H 1.185 0.006 . 380 44 56 ILE HG13 H 1.654 0.006 . 381 44 56 ILE HD1 H 0.875 0.010 . 382 44 56 ILE CD1 C 13.652 0.01 . 383 45 57 ASP N N 125.589 0.01 . 384 45 57 ASP H H 8.158 0.004 . 385 45 57 ASP CA C 52.415 0.01 . 386 45 57 ASP HA H 5.481 0.008 . 387 45 57 ASP CB C 41.157 0.01 . 388 45 57 ASP HB2 H 2.466 0.006 . 389 45 57 ASP HB3 H 2.227 0.008 . 390 46 58 VAL N N 119.964 0.01 . 391 46 58 VAL H H 9.039 0.006 . 392 46 58 VAL HA H 4.676 0.006 . 393 46 58 VAL CB C 34.343 0.01 . 394 46 58 VAL HB H 2.048 0.004 . 395 46 58 VAL HG1 H 0.934 0.006 . 396 46 58 VAL HG2 H 0.985 0.005 . 397 46 58 VAL CG1 C 21.052 0.01 . 398 46 58 VAL CG2 C 20.244 0.01 . 399 47 59 ARG N N 123.438 0.01 . 400 47 59 ARG H H 8.597 0.005 . 401 47 59 ARG CA C 55.393 0.01 . 402 47 59 ARG HA H 4.460 0.004 . 403 47 59 ARG CB C 29.476 0.01 . 404 47 59 ARG HB2 H 2.212 0.004 . 405 47 59 ARG CG C 26.838 0.01 . 406 47 59 ARG HG2 H 1.681 0.005 . 407 47 59 ARG HG3 H 1.497 0.006 . 408 47 59 ARG HD2 H 3.162 0.005 . 409 47 59 ARG HD3 H 3.112 0.005 . 410 48 60 ILE N N 126.582 0.01 . 411 48 60 ILE H H 8.661 0.002 . 412 48 60 ILE CA C 64.876 0.01 . 413 48 60 ILE HA H 3.375 0.007 . 414 48 60 ILE CB C 36.577 0.01 . 415 48 60 ILE HB H 1.612 0.007 . 416 48 60 ILE HG2 H 0.732 0.008 . 417 48 60 ILE CG1 C 28.402 0.01 . 418 48 60 ILE HG12 H 1.608 0.010 . 419 48 60 ILE HG13 H 0.618 0.008 . 420 48 60 ILE HD1 H 0.608 0.010 . 421 48 60 ILE CD1 C 12.289 0.01 . 422 49 61 GLY N N 118.309 0.01 . 423 49 61 GLY H H 8.299 0.005 . 424 49 61 GLY CA C 42.798 0.01 . 425 49 61 GLY HA2 H 3.780 0.004 . 426 49 61 GLY HA3 H 4.898 0.011 . 427 50 62 GLU N N 122.776 0.01 . 428 50 62 GLU H H 7.838 0.006 . 429 50 62 GLU CA C 55.056 0.01 . 430 50 62 GLU HA H 4.056 0.007 . 431 50 62 GLU HB2 H 1.455 0.004 . 432 50 62 GLU HB3 H 1.811 0.007 . 433 50 62 GLU HG2 H 2.183 0.012 . 434 51 63 THR N N 123.604 0.01 . 435 51 63 THR H H 8.943 0.010 . 436 51 63 THR HA H 4.889 0.005 . 437 51 63 THR HB H 3.786 0.006 . 438 51 63 THR HG2 H 0.922 0.008 . 439 52 64 VAL N N 122.611 0.01 . 440 52 64 VAL H H 8.608 0.004 . 441 52 64 VAL CA C 58.382 0.01 . 442 52 64 VAL HA H 4.356 0.006 . 443 52 64 VAL CB C 34.833 0.01 . 444 52 64 VAL HB H 1.603 0.006 . 445 52 64 VAL HG1 H 0.612 0.007 . 446 52 64 VAL HG2 H 0.239 0.009 . 447 52 64 VAL CG1 C 20.874 0.01 . 448 52 64 VAL CG2 C 18.142 0.01 . 449 53 65 GLN N N 120.294 0.01 . 450 53 65 GLN H H 8.055 0.009 . 451 53 65 GLN CA C 52.726 0.01 . 452 53 65 GLN HA H 5.479 0.012 . 453 53 65 GLN CB C 31.407 0.01 . 454 53 65 GLN HB2 H 1.831 0.009 . 455 53 65 GLN CG C 34.163 0.01 . 456 53 65 GLN HG2 H 1.966 0.009 . 457 53 65 GLN NE2 N 110.202 0.01 . 458 53 65 GLN HE21 H 6.931 0.019 . 459 53 65 GLN HE22 H 6.692 0.011 . 460 54 66 ILE N N 121.949 0.01 . 461 54 66 ILE H H 9.190 0.002 . 462 54 66 ILE CA C 56.619 0.01 . 463 54 66 ILE HA H 4.454 0.009 . 464 54 66 ILE CB C 40.598 0.01 . 465 54 66 ILE HB H 1.554 0.007 . 466 54 66 ILE HG2 H 0.718 0.008 . 467 54 66 ILE CG2 C 20.438 0.01 . 468 54 66 ILE CG1 C 25.343 0.01 . 469 54 66 ILE HG12 H 1.411 0.010 . 470 54 66 ILE HG13 H 0.952 0.009 . 471 54 66 ILE HD1 H 0.371 0.008 . 472 54 66 ILE CD1 C 15.412 0.01 . 473 55 67 MET N N 117.316 0.01 . 474 55 67 MET H H 8.253 0.003 . 475 55 67 MET CA C 52.821 0.01 . 476 55 67 MET HA H 5.373 0.009 . 477 55 67 MET CB C 34.872 0.01 . 478 55 67 MET HB2 H 1.720 0.004 . 479 55 67 MET HB3 H 1.661 0.006 . 480 55 67 MET CG C 31.427 0.01 . 481 55 67 MET HG2 H 2.397 0.004 . 482 56 68 TYR N N 124.100 0.01 . 483 56 68 TYR H H 8.689 0.007 . 484 56 68 TYR HA H 4.701 0.004 . 485 56 68 TYR CB C 41.157 0.01 . 486 56 68 TYR HB2 H 2.665 0.010 . 487 56 68 TYR HB3 H 2.460 0.009 . 488 56 68 TYR HE1 H 6.522 0.004 . 489 56 68 TYR HD1 H 6.391 0.005 . 490 57 69 ARG N N 120.129 0.01 . 491 57 69 ARG H H 9.073 0.004 . 492 57 69 ARG CA C 53.828 0.01 . 493 57 69 ARG HA H 5.130 0.004 . 494 57 69 ARG CB C 32.700 0.01 . 495 57 69 ARG HB2 H 1.267 0.010 . 496 57 69 ARG HB3 H 1.457 0.006 . 497 57 69 ARG CG C 26.360 0.01 . 498 57 69 ARG HG2 H 1.181 0.009 . 499 57 69 ARG HD2 H 2.901 0.008 . 500 57 69 ARG NE N 124.431 0.01 . 501 57 69 ARG HE H 7.194 0.002 . 502 58 70 ALA N N 126.251 0.01 . 503 58 70 ALA H H 8.461 0.004 . 504 58 70 ALA CA C 48.521 0.01 . 505 58 70 ALA HA H 5.551 0.007 . 506 58 70 ALA HB H 0.763 0.007 . 507 58 70 ALA CB C 22.794 0.01 . 508 59 71 LYS N N 119.467 0.01 . 509 59 71 LYS H H 8.397 0.006 . 510 59 71 LYS CA C 52.988 0.01 . 511 59 71 LYS HA H 4.963 0.007 . 512 59 71 LYS CB C 36.431 0.01 . 513 59 71 LYS HB2 H 1.434 0.008 . 514 59 71 LYS CG C 24.025 0.01 . 515 59 71 LYS HG2 H 0.838 0.005 . 516 59 71 LYS HG3 H 0.636 0.009 . 517 59 71 LYS CD C 28.491 0.01 . 518 59 71 LYS HD2 H 1.349 0.007 . 519 59 71 LYS CE C 44.856 0.01 . 520 59 71 LYS HE2 H 2.634 0.005 . 521 60 72 ASN N N 122.776 0.01 . 522 60 72 ASN H H 7.502 0.006 . 523 60 72 ASN CA C 50.892 0.01 . 524 60 72 ASN HA H 4.580 0.011 . 525 60 72 ASN CB C 37.412 0.01 . 526 60 72 ASN HB2 H 2.846 0.007 . 527 60 72 ASN HB3 H 2.165 0.007 . 528 60 72 ASN ND2 N 110.698 0.01 . 529 60 72 ASN HD21 H 7.110 0.003 . 530 60 72 ASN HD22 H 6.264 0.007 . 531 61 73 LEU N N 126.747 0.01 . 532 61 73 LEU H H 8.936 0.003 . 533 61 73 LEU CA C 53.528 0.01 . 534 61 73 LEU HA H 4.241 0.007 . 535 61 73 LEU CB C 41.348 0.01 . 536 61 73 LEU HB2 H 1.697 0.009 . 537 61 73 LEU HB3 H 1.498 0.005 . 538 61 73 LEU HD1 H 0.726 0.008 . 539 61 73 LEU HD2 H 0.628 0.005 . 540 62 74 ALA N N 121.618 0.01 . 541 62 74 ALA H H 7.978 0.003 . 542 62 74 ALA CA C 50.483 0.01 . 543 62 74 ALA HA H 4.502 0.004 . 544 62 74 ALA HB H 1.757 0.007 . 545 62 74 ALA CB C 19.970 0.01 . 546 63 75 SER N N 110.864 0.01 . 547 63 75 SER H H 8.383 0.006 . 548 63 75 SER CA C 57.173 0.01 . 549 63 75 SER HA H 4.373 0.006 . 550 63 75 SER CB C 62.340 0.01 . 551 63 75 SER HB2 H 3.977 0.009 . 552 63 75 SER HB3 H 3.841 0.005 . 553 64 76 THR N N 111.525 0.01 . 554 64 76 THR H H 7.220 0.004 . 555 64 76 THR CA C 57.164 0.01 . 556 64 76 THR HA H 4.758 0.009 . 557 64 76 THR CB C 68.325 0.01 . 558 64 76 THR HB H 4.271 0.001 . 559 64 76 THR HG2 H 1.073 0.008 . 560 65 77 PRO CD C 48.865 0.01 . 561 65 77 PRO CA C 61.831 0.01 . 562 65 77 PRO HA H 4.764 0.01 . 563 65 77 PRO CB C 30.009 0.01 . 564 65 77 PRO HB2 H 2.059 0.01 . 565 65 77 PRO HB3 H 1.699 0.01 . 566 65 77 PRO HD2 H 3.679 0.004 . 567 66 78 THR N N 112.187 0.01 . 568 66 78 THR H H 8.298 0.004 . 569 66 78 THR HA H 4.703 0.008 . 570 66 78 THR CB C 72.652 0.01 . 571 66 78 THR HB H 4.094 0.008 . 572 66 78 THR HG2 H 1.184 0.009 . 573 66 78 THR HG1 H 3.248 0.01 . 574 66 78 THR CG2 C 22.441 0.01 . 575 67 79 THR N N 117.482 0.01 . 576 67 79 THR H H 8.109 0.001 . 577 67 79 THR CA C 61.110 0.01 . 578 67 79 THR HA H 5.479 0.005 . 579 67 79 THR CB C 70.005 0.01 . 580 67 79 THR HB H 3.714 0.009 . 581 67 79 THR HG2 H 0.958 0.006 . 582 67 79 THR CG2 C 21.003 0.01 . 583 68 80 GLY N N 113.345 0.01 . 584 68 80 GLY H H 9.074 0.005 . 585 68 80 GLY CA C 41.180 0.01 . 586 68 80 GLY HA2 H 5.027 0.010 . 587 68 80 GLY HA3 H 2.818 0.011 . 588 69 81 GLN N N 118.640 0.01 . 589 69 81 GLN H H 9.048 0.006 . 590 69 81 GLN HA H 4.693 0.006 . 591 69 81 GLN HB2 H 1.808 0.01 . 592 69 81 GLN HB3 H 1.730 0.01 . 593 69 81 GLN HG2 H 2.122 0.01 . 594 69 81 GLN HG3 H 1.976 0.01 . 595 69 81 GLN NE2 N 110.698 0.01 . 596 69 81 GLN HE21 H 7.388 0.01 . 597 69 81 GLN HE22 H 6.579 0.01 . 598 70 82 ALA H H 8.568 0.004 . 599 70 82 ALA CA C 49.314 0.01 . 600 70 82 ALA HA H 5.421 0.005 . 601 70 82 ALA HB H 0.166 0.006 . 602 70 82 ALA CB C 18.493 0.01 . 603 71 83 THR N N 111.856 0.01 . 604 71 83 THR H H 8.603 0.007 . 605 71 83 THR CA C 59.017 0.01 . 606 71 83 THR HA H 4.353 0.008 . 607 71 83 THR CB C 69.518 0.01 . 608 71 83 THR HB H 4.288 0.004 . 609 71 83 THR HG2 H 1.059 0.003 . 610 72 84 PHE N N 116.820 0.01 . 611 72 84 PHE H H 7.771 0.009 . 612 72 84 PHE CA C 54.082 0.01 . 613 72 84 PHE HA H 5.476 0.007 . 614 72 84 PHE CB C 42.236 0.01 . 615 72 84 PHE HB2 H 2.109 0.044 . 616 72 84 PHE HB3 H 2.017 0.048 . 617 72 84 PHE HZ H 6.453 0.001 . 618 72 84 PHE HD1 H 6.623 0.006 . 619 72 84 PHE HE1 H 7.196 0.008 . 620 73 85 ASN N N 117.482 0.01 . 621 73 85 ASN H H 8.559 0.004 . 622 73 85 ASN CA C 51.909 0.01 . 623 73 85 ASN HA H 4.183 0.009 . 624 73 85 ASN CB C 41.573 0.01 . 625 73 85 ASN HB2 H 2.327 0.009 . 626 73 85 ASN HB3 H 2.271 0.008 . 627 73 85 ASN ND2 N 112.684 0.01 . 628 73 85 ASN HD21 H 7.195 0.005 . 629 73 85 ASN HD22 H 6.452 0.002 . 630 74 86 VAL N N 122.776 0.01 . 631 74 86 VAL H H 7.904 0.002 . 632 74 86 VAL HA H 4.626 0.005 . 633 74 86 VAL CB C 32.971 0.01 . 634 74 86 VAL HB H 1.479 0.005 . 635 74 86 VAL HG1 H 0.324 0.013 . 636 74 86 VAL HG2 H 0.371 0.008 . 637 74 86 VAL CG1 C 20.429 0.01 . 638 74 86 VAL CG2 C 19.440 0.01 . 639 75 87 THR N N 119.136 0.01 . 640 75 87 THR H H 8.374 0.002 . 641 75 87 THR CA C 57.138 0.01 . 642 75 87 THR HA H 4.339 0.006 . 643 75 87 THR CB C 69.609 0.01 . 644 75 87 THR HB H 3.857 0.009 . 645 75 87 THR HG2 H 1.022 0.006 . 646 75 87 THR CG2 C 20.677 0.162 . 647 76 88 PRO CD C 49.713 0.01 . 648 76 88 PRO HA H 4.663 0.011 . 649 76 88 PRO CB C 33.403 0.01 . 650 76 88 PRO HB2 H 1.987 0.004 . 651 76 88 PRO HB3 H 2.526 0.005 . 652 76 88 PRO CG C 25.156 0.01 . 653 76 88 PRO HG2 H 1.985 0.006 . 654 76 88 PRO HG3 H 1.818 0.004 . 655 76 88 PRO HD2 H 3.784 0.012 . 656 76 88 PRO HD3 H 3.429 0.004 . 657 77 89 MET N N 124.762 0.01 . 658 77 89 MET H H 9.007 0.002 . 659 77 89 MET CA C 58.187 0.01 . 660 77 89 MET HA H 4.120 0.012 . 661 77 89 MET CB C 31.226 0.01 . 662 77 89 MET HB2 H 2.101 0.004 . 663 77 89 MET HB3 H 2.018 0.010 . 664 77 89 MET CG C 30.622 0.01 . 665 77 89 MET HG2 H 2.578 0.016 . 666 78 90 ALA N N 120.625 0.01 . 667 78 90 ALA H H 8.872 0.002 . 668 78 90 ALA CA C 53.374 0.01 . 669 78 90 ALA HA H 4.054 0.008 . 670 78 90 ALA HB H 1.268 0.007 . 671 78 90 ALA CB C 17.711 0.01 . 672 79 91 ALA N N 114.354 0.024 . 673 79 91 ALA H H 7.647 0.004 . 674 79 91 ALA CA C 51.655 0.01 . 675 79 91 ALA HA H 4.313 0.007 . 676 79 91 ALA HB H 1.324 0.007 . 677 79 91 ALA CB C 18.839 0.01 . 678 80 92 GLY N N 105.073 0.01 . 679 80 92 GLY H H 7.910 0.005 . 680 80 92 GLY CA C 46.034 0.01 . 681 80 92 GLY HA2 H 4.082 0.007 . 682 80 92 GLY HA3 H 3.451 0.008 . 683 81 93 ALA N N 120.625 0.01 . 684 81 93 ALA H H 7.551 0.005 . 685 81 93 ALA CA C 52.303 0.01 . 686 81 93 ALA HA H 3.950 0.008 . 687 81 93 ALA HB H 0.829 0.006 . 688 81 93 ALA CB C 16.908 0.01 . 689 82 94 TYR N N 113.345 0.01 . 690 82 94 TYR H H 7.460 0.004 . 691 82 94 TYR CA C 55.698 0.01 . 692 82 94 TYR HA H 4.496 0.009 . 693 82 94 TYR CB C 38.441 0.01 . 694 82 94 TYR HB2 H 3.583 0.007 . 695 82 94 TYR HB3 H 2.606 0.009 . 696 82 94 TYR HE1 H 6.630 0.007 . 697 82 94 TYR HD1 H 6.893 0.008 . 698 83 95 PHE N N 124.762 0.01 . 699 83 95 PHE H H 7.440 0.001 . 700 83 95 PHE CA C 57.631 0.01 . 701 83 95 PHE HA H 4.261 0.009 . 702 83 95 PHE CB C 39.235 0.01 . 703 83 95 PHE HB2 H 2.448 0.008 . 704 83 95 PHE HB3 H 3.438 0.016 . 705 83 95 PHE HZ H 5.677 0.003 . 706 83 95 PHE HD1 H 6.754 0.007 . 707 83 95 PHE HE1 H 6.365 0.006 . 708 84 96 ASN N N 128.567 0.01 . 709 84 96 ASN H H 8.075 0.008 . 710 84 96 ASN CA C 51.483 0.01 . 711 84 96 ASN HA H 4.446 0.012 . 712 84 96 ASN CB C 37.911 0.01 . 713 84 96 ASN HB2 H 1.271 0.006 . 714 84 96 ASN HB3 H 1.556 0.008 . 715 84 96 ASN ND2 N 111.856 0.01 . 716 84 96 ASN HD21 H 5.721 0.016 . 717 84 96 ASN HD22 H 7.187 0.004 . 718 91 103 PHE CB C 38.110 0.01 . 719 91 103 PHE HB2 H 3.450 0.01 . 720 91 103 PHE HB3 H 2.770 0.01 . 721 91 103 PHE HD1 H 6.648 0.01 . 722 91 103 PHE HE1 H 6.266 0.01 . 723 93 105 GLU HA H 4.276 0.01 . 724 93 105 GLU HB2 H 1.890 0.005 . 725 93 105 GLU HG2 H 2.016 0.01 . 726 94 106 THR N N 123.934 0.01 . 727 94 106 THR H H 9.164 0.005 . 728 94 106 THR CA C 61.531 0.01 . 729 94 106 THR HA H 4.532 0.005 . 730 94 106 THR CB C 70.612 0.01 . 731 94 106 THR HB H 4.097 0.004 . 732 94 106 THR HG2 H 0.943 0.007 . 733 94 106 THR CG2 C 19.488 0.01 . 734 95 107 THR N N 126.582 0.01 . 735 95 107 THR H H 8.899 0.004 . 736 95 107 THR CA C 60.693 0.01 . 737 95 107 THR HA H 5.140 0.005 . 738 95 107 THR CB C 69.014 0.01 . 739 95 107 THR HB H 3.783 0.010 . 740 95 107 THR HG2 H 0.943 0.008 . 741 95 107 THR CG2 C 20.328 0.01 . 742 96 108 LEU N N 126.913 0.01 . 743 96 108 LEU H H 8.612 0.004 . 744 96 108 LEU CA C 51.524 0.01 . 745 96 108 LEU HA H 4.579 0.004 . 746 96 108 LEU CB C 44.842 0.01 . 747 96 108 LEU HB2 H 1.085 0.011 . 748 96 108 LEU CG C 25.792 0.01 . 749 96 108 LEU HG H 0.741 0.009 . 750 96 108 LEU HD1 H 0.174 0.007 . 751 96 108 LEU HD2 H -0.974 0.006 . 752 96 108 LEU CD1 C 21.972 0.01 . 753 96 108 LEU CD2 C 22.274 0.01 . 754 97 109 GLU N N 122.776 0.01 . 755 97 109 GLU H H 9.316 0.004 . 756 97 109 GLU CA C 54.332 0.01 . 757 97 109 GLU HA H 4.014 0.006 . 758 97 109 GLU CB C 26.264 0.01 . 759 97 109 GLU HB2 H 2.062 0.005 . 760 97 109 GLU HB3 H 1.650 0.005 . 761 98 110 PRO CD C 49.208 0.01 . 762 98 110 PRO CA C 63.722 0.01 . 763 98 110 PRO HA H 3.929 0.006 . 764 98 110 PRO CB C 30.475 0.01 . 765 98 110 PRO HB2 H 1.958 0.006 . 766 98 110 PRO HB3 H 1.752 0.005 . 767 98 110 PRO CG C 26.905 0.01 . 768 98 110 PRO HG2 H 1.989 0.011 . 769 98 110 PRO HG3 H 1.184 0.003 . 770 98 110 PRO HD2 H 3.687 0.007 . 771 98 110 PRO HD3 H 3.115 0.006 . 772 99 111 GLY N N 114.237 0.099 . 773 99 111 GLY H H 7.760 0.004 . 774 99 111 GLY CA C 44.011 0.01 . 775 99 111 GLY HA2 H 3.715 0.007 . 776 99 111 GLY HA3 H 3.907 0.004 . 777 100 112 GLU N N 123.273 0.01 . 778 100 112 GLU H H 7.910 0.004 . 779 100 112 GLU CA C 55.989 0.01 . 780 100 112 GLU HA H 3.866 0.004 . 781 100 112 GLU CB C 30.105 0.01 . 782 100 112 GLU HB2 H 1.786 0.006 . 783 100 112 GLU HB3 H 1.880 0.007 . 784 100 112 GLU CG C 35.139 0.01 . 785 100 112 GLU HG2 H 2.166 0.010 . 786 100 112 GLU HG3 H 1.825 0.004 . 787 101 113 GLU N N 124.431 0.01 . 788 101 113 GLU H H 8.100 0.004 . 789 101 113 GLU CA C 52.435 0.01 . 790 101 113 GLU HA H 5.190 0.008 . 791 101 113 GLU CB C 32.376 0.01 . 792 101 113 GLU HB2 H 1.751 0.007 . 793 101 113 GLU HB3 H 1.597 0.006 . 794 101 113 GLU CG C 35.971 0.01 . 795 101 113 GLU HG2 H 1.806 0.004 . 796 101 113 GLU HG3 H 1.931 0.005 . 797 102 114 MET N N 124.431 0.01 . 798 102 114 MET H H 8.934 0.003 . 799 102 114 MET CA C 53.505 0.01 . 800 102 114 MET HA H 4.542 0.007 . 801 102 114 MET CB C 36.795 0.01 . 802 102 114 MET HB2 H 1.587 0.005 . 803 102 114 MET HB3 H 1.475 0.004 . 804 102 114 MET CG C 30.343 0.01 . 805 102 114 MET HG2 H 2.097 0.011 . 806 102 114 MET HG3 H 2.252 0.007 . 807 103 115 GLU N N 125.424 0.01 . 808 103 115 GLU H H 8.452 0.004 . 809 103 115 GLU HA H 4.749 0.005 . 810 103 115 GLU HB2 H 1.773 0.004 . 811 103 115 GLU HB3 H 1.941 0.001 . 812 104 116 MET N N 123.604 0.01 . 813 104 116 MET H H 8.919 0.002 . 814 104 116 MET CA C 51.449 0.01 . 815 104 116 MET HA H 4.797 0.012 . 816 104 116 MET CB C 33.819 0.01 . 817 104 116 MET HB2 H 1.257 0.007 . 818 104 116 MET HB3 H 1.177 0.002 . 819 104 116 MET CG C 31.237 0.01 . 820 104 116 MET HG2 H 2.004 0.008 . 821 104 116 MET HG3 H 1.829 0.007 . 822 105 117 PRO CD C 50.400 0.01 . 823 105 117 PRO CA C 61.107 0.01 . 824 105 117 PRO HA H 5.288 0.006 . 825 105 117 PRO CB C 32.000 0.01 . 826 105 117 PRO HB2 H 1.637 0.009 . 827 105 117 PRO HB3 H 2.015 0.006 . 828 105 117 PRO CG C 20.551 0.01 . 829 105 117 PRO HG2 H 2.021 0.009 . 830 105 117 PRO HG3 H 1.827 0.004 . 831 105 117 PRO HD2 H 3.796 0.003 . 832 105 117 PRO HD3 H 3.628 0.006 . 833 106 118 VAL N N 119.741 0.079 . 834 106 118 VAL H H 8.838 0.002 . 835 106 118 VAL CA C 60.618 0.01 . 836 106 118 VAL HA H 4.456 0.008 . 837 106 118 VAL CB C 32.563 0.01 . 838 106 118 VAL HB H 2.006 0.009 . 839 106 118 VAL HG1 H 1.118 0.006 . 840 106 118 VAL CG1 C 19.120 0.162 . 841 107 119 VAL N N 126.913 0.01 . 842 107 119 VAL H H 8.667 0.002 . 843 107 119 VAL CA C 58.895 0.01 . 844 107 119 VAL HA H 5.376 0.006 . 845 107 119 VAL CB C 32.145 0.01 . 846 107 119 VAL HB H 1.765 0.008 . 847 107 119 VAL HG1 H 0.863 0.015 . 848 107 119 VAL HG2 H 0.719 0.008 . 849 108 120 PHE N N 124.762 0.01 . 850 108 120 PHE H H 8.911 0.004 . 851 108 120 PHE CA C 54.437 0.01 . 852 108 120 PHE HA H 5.744 0.008 . 853 108 120 PHE CB C 42.675 0.01 . 854 108 120 PHE HB2 H 2.303 0.005 . 855 108 120 PHE HB3 H 2.464 0.010 . 856 108 120 PHE HZ H 6.792 0.004 . 857 108 120 PHE HD1 H 6.529 0.008 . 858 108 120 PHE HE1 H 7.090 0.005 . 859 109 121 PHE N N 112.849 0.01 . 860 109 121 PHE H H 8.477 0.006 . 861 109 121 PHE HA H 4.772 0.010 . 862 109 121 PHE CB C 42.591 0.01 . 863 109 121 PHE HB2 H 2.933 0.008 . 864 109 121 PHE HB3 H 2.327 0.009 . 865 109 121 PHE HZ H 6.521 0.01 . 866 109 121 PHE HD1 H 6.794 0.008 . 867 109 121 PHE HE1 H 7.094 0.006 . 868 110 122 VAL N N 121.778 0.009 . 869 110 122 VAL H H 9.345 0.001 . 870 110 122 VAL CA C 60.562 0.01 . 871 110 122 VAL HA H 4.376 0.010 . 872 110 122 VAL CB C 31.341 0.01 . 873 110 122 VAL HB H 1.872 0.005 . 874 110 122 VAL HG1 H 0.908 0.008 . 875 111 123 ASP N N 129.891 0.01 . 876 111 123 ASP H H 9.178 0.005 . 877 111 123 ASP HA H 4.648 0.009 . 878 111 123 ASP CB C 42.997 0.01 . 879 111 123 ASP HB2 H 3.044 0.007 . 880 111 123 ASP HB3 H 2.640 0.010 . 881 112 124 PRO CD C 50.737 0.01 . 882 112 124 PRO CA C 63.653 0.01 . 883 112 124 PRO HA H 4.198 0.003 . 884 112 124 PRO CB C 31.532 0.01 . 885 112 124 PRO HB2 H 2.081 0.009 . 886 112 124 PRO HB3 H 1.980 0.011 . 887 112 124 PRO CG C 26.565 0.01 . 888 112 124 PRO HG2 H 2.074 0.011 . 889 112 124 PRO HG3 H 1.750 0.006 . 890 112 124 PRO HD2 H 4.132 0.008 . 891 112 124 PRO HD3 H 3.992 0.004 . 892 113 125 GLU N N 119.964 0.01 . 893 113 125 GLU H H 9.139 0.01 . 894 113 125 GLU CA C 57.109 0.01 . 895 113 125 GLU HA H 3.839 0.004 . 896 113 125 GLU CB C 28.459 0.01 . 897 113 125 GLU HB2 H 2.036 0.014 . 898 113 125 GLU HB3 H 1.934 0.004 . 899 113 125 GLU CG C 35.884 0.01 . 900 113 125 GLU HG2 H 2.443 0.006 . 901 113 125 GLU HG3 H 2.302 0.005 . 902 114 126 ILE N N 118.640 0.01 . 903 114 126 ILE H H 8.043 0.005 . 904 114 126 ILE CA C 62.871 0.01 . 905 114 126 ILE HA H 2.513 0.005 . 906 114 126 ILE CB C 37.182 0.01 . 907 114 126 ILE HB H 1.536 0.006 . 908 114 126 ILE HG2 H 0.646 0.005 . 909 114 126 ILE CG1 C 28.529 0.01 . 910 114 126 ILE HG12 H 1.147 0.006 . 911 114 126 ILE HG13 H 0.961 0.010 . 912 114 126 ILE HD1 H 0.679 0.007 . 913 114 126 ILE CD1 C 12.663 0.01 . 914 115 127 VAL N N 110.202 0.01 . 915 115 127 VAL H H 6.618 0.002 . 916 115 127 VAL CA C 61.222 0.01 . 917 115 127 VAL HA H 4.012 0.004 . 918 115 127 VAL CB C 29.735 0.01 . 919 115 127 VAL HB H 2.317 0.003 . 920 115 127 VAL HG1 H 0.792 0.007 . 921 115 127 VAL HG2 H 0.761 0.010 . 922 115 127 VAL CG1 C 20.958 0.01 . 923 115 127 VAL CG2 C 16.836 0.01 . 924 116 128 LYS N N 120.460 0.01 . 925 116 128 LYS H H 7.553 0.004 . 926 116 128 LYS CA C 58.087 0.01 . 927 116 128 LYS HA H 4.251 0.005 . 928 116 128 LYS CB C 29.946 0.01 . 929 116 128 LYS HB2 H 1.960 0.005 . 930 116 128 LYS HB3 H 1.681 0.008 . 931 116 128 LYS CG C 24.667 0.01 . 932 116 128 LYS HG2 H 1.325 0.006 . 933 116 128 LYS HG3 H 1.158 0.005 . 934 116 128 LYS CD C 27.928 0.01 . 935 116 128 LYS HD2 H 1.571 0.008 . 936 116 128 LYS HE2 H 2.831 0.002 . 937 117 129 PRO CD C 49.356 0.01 . 938 117 129 PRO CA C 62.529 0.01 . 939 117 129 PRO HA H 4.423 0.005 . 940 117 129 PRO CB C 30.578 0.01 . 941 117 129 PRO HB2 H 2.271 0.004 . 942 117 129 PRO HB3 H 1.924 0.043 . 943 117 129 PRO CG C 26.601 0.01 . 944 117 129 PRO HG2 H 2.123 0.005 . 945 117 129 PRO HG3 H 1.820 0.005 . 946 117 129 PRO HD2 H 3.847 0.005 . 947 117 129 PRO HD3 H 3.205 0.006 . 948 118 130 VAL N N 122.114 0.01 . 949 118 130 VAL H H 8.451 0.006 . 950 118 130 VAL CA C 64.363 0.01 . 951 118 130 VAL HA H 3.583 0.006 . 952 118 130 VAL CB C 30.658 0.01 . 953 118 130 VAL HB H 1.953 0.005 . 954 118 130 VAL HG1 H 0.856 0.005 . 955 118 130 VAL HG2 H 0.921 0.007 . 956 118 130 VAL CG1 C 19.737 0.01 . 957 119 131 GLU N N 116.511 0.025 . 958 119 131 GLU H H 9.081 0.001 . 959 119 131 GLU CA C 58.538 0.01 . 960 119 131 GLU HA H 4.012 0.007 . 961 119 131 GLU CB C 28.445 0.01 . 962 119 131 GLU HB2 H 1.999 0.014 . 963 119 131 GLU HB3 H 1.913 0.005 . 964 119 131 GLU CG C 35.887 0.01 . 965 119 131 GLU HG2 H 2.338 0.008 . 966 119 131 GLU HG3 H 2.253 0.003 . 967 120 132 THR N N 104.080 0.01 . 968 120 132 THR H H 7.081 0.004 . 969 120 132 THR CA C 60.385 0.01 . 970 120 132 THR HA H 4.382 0.009 . 971 120 132 THR CB C 67.374 0.01 . 972 120 132 THR HB H 4.207 0.010 . 973 120 132 THR HG2 H 0.871 0.008 . 974 120 132 THR HG1 H 5.045 0.01 . 975 120 132 THR CG2 C 20.603 0.01 . 976 121 133 GLN N N 122.611 0.01 . 977 121 133 GLN H H 7.660 0.003 . 978 121 133 GLN CA C 57.047 0.01 . 979 121 133 GLN HA H 3.937 0.008 . 980 121 133 GLN CB C 26.974 0.01 . 981 121 133 GLN HB2 H 1.913 0.007 . 982 121 133 GLN HB3 H 1.827 0.006 . 983 121 133 GLN CG C 32.405 0.01 . 984 121 133 GLN HG2 H 2.319 0.009 . 985 121 133 GLN NE2 N 110.533 0.01 . 986 121 133 GLN HE21 H 7.074 0.001 . 987 121 133 GLN HE22 H 6.656 0.003 . 988 122 134 GLY N N 107.720 0.01 . 989 122 134 GLY H H 8.592 0.002 . 990 122 134 GLY CA C 43.687 0.01 . 991 122 134 GLY HA2 H 3.640 0.004 . 992 122 134 GLY HA3 H 3.950 0.012 . 993 123 135 ILE N N 121.122 0.01 . 994 123 135 ILE H H 7.348 0.01 . 995 123 135 ILE CA C 61.581 0.01 . 996 123 135 ILE HA H 3.839 0.006 . 997 123 135 ILE CB C 36.509 0.01 . 998 123 135 ILE HB H 1.788 0.005 . 999 123 135 ILE HG2 H 0.743 0.007 . 1000 123 135 ILE CG2 C 16.294 0.01 . 1001 123 135 ILE CG1 C 26.855 0.01 . 1002 123 135 ILE HG12 H 1.533 0.006 . 1003 123 135 ILE HG13 H 1.016 0.007 . 1004 123 135 ILE HD1 H 0.792 0.011 . 1005 123 135 ILE CD1 C 13.401 0.01 . 1006 124 136 LYS N N 124.431 0.01 . 1007 124 136 LYS H H 8.474 0.006 . 1008 124 136 LYS HA H 4.580 0.006 . 1009 124 136 LYS CB C 32.711 0.01 . 1010 124 136 LYS HB2 H 2.017 0.006 . 1011 124 136 LYS HB3 H 1.658 0.006 . 1012 124 136 LYS CG C 23.101 0.01 . 1013 124 136 LYS HG2 H 1.439 0.007 . 1014 124 136 LYS HG3 H 1.316 0.008 . 1015 124 136 LYS CD C 26.934 0.01 . 1016 124 136 LYS HD2 H 1.573 0.010 . 1017 124 136 LYS CE C 41.148 0.01 . 1018 124 136 LYS HE2 H 2.903 0.006 . 1019 124 136 LYS HE3 H 2.844 0.002 . 1020 125 137 THR N N 114.173 0.01 . 1021 125 137 THR H H 7.295 0.001 . 1022 125 137 THR CA C 59.005 0.01 . 1023 125 137 THR HA H 5.343 0.006 . 1024 125 137 THR CB C 70.243 0.01 . 1025 125 137 THR HB H 3.848 0.009 . 1026 125 137 THR HG2 H 0.957 0.008 . 1027 125 137 THR CG2 C 20.484 0.01 . 1028 126 138 LEU N N 124.762 0.01 . 1029 126 138 LEU H H 8.838 0.002 . 1030 126 138 LEU CA C 52.423 0.01 . 1031 126 138 LEU HA H 4.948 0.005 . 1032 126 138 LEU CB C 44.858 0.01 . 1033 126 138 LEU HB2 H 1.496 0.011 . 1034 126 138 LEU HB3 H 1.251 0.004 . 1035 126 138 LEU CG C 25.531 0.01 . 1036 126 138 LEU HG H 0.648 0.010 . 1037 126 138 LEU HD1 H 0.359 0.066 . 1038 126 138 LEU HD2 H 0.287 0.001 . 1039 127 139 THR N N 117.151 0.01 . 1040 127 139 THR H H 8.925 0.002 . 1041 127 139 THR CA C 60.321 0.01 . 1042 127 139 THR HA H 4.806 0.009 . 1043 127 139 THR CB C 70.173 0.01 . 1044 127 139 THR HB H 3.608 0.006 . 1045 127 139 THR HG2 H 0.753 0.009 . 1046 127 139 THR CG2 C 19.799 0.01 . 1047 128 140 LEU N N 130.883 0.01 . 1048 128 140 LEU H H 8.719 0.007 . 1049 128 140 LEU CA C 52.367 0.01 . 1050 128 140 LEU HA H 4.459 0.006 . 1051 128 140 LEU CB C 41.974 0.01 . 1052 128 140 LEU HB2 H 1.869 0.006 . 1053 128 140 LEU HB3 H 1.819 0.005 . 1054 128 140 LEU HG H 1.517 0.004 . 1055 128 140 LEU HD1 H 0.974 0.016 . 1056 128 140 LEU HD2 H 0.287 0.005 . 1057 128 140 LEU CD1 C 24.044 0.01 . 1058 128 140 LEU CD2 C 22.199 0.01 . 1059 129 141 SER N N 118.971 0.01 . 1060 129 141 SER H H 8.337 0.008 . 1061 129 141 SER CA C 54.437 0.01 . 1062 129 141 SER HA H 5.143 0.005 . 1063 129 141 SER CB C 63.765 0.01 . 1064 129 141 SER HB2 H 3.371 0.005 . 1065 129 141 SER HB3 H 3.454 0.007 . 1066 130 142 TYR N N 122.611 0.01 . 1067 130 142 TYR H H 7.439 0.007 . 1068 130 142 TYR CA C 56.081 0.01 . 1069 130 142 TYR HA H 5.466 0.008 . 1070 130 142 TYR CB C 43.521 0.01 . 1071 130 142 TYR HB2 H 2.770 0.010 . 1072 130 142 TYR HB3 H 2.738 0.016 . 1073 130 142 TYR HE1 H 5.982 0.012 . 1074 130 142 TYR HD1 H 6.532 0.008 . 1075 131 143 THR H H 8.288 0.01 . 1076 131 143 THR CA C 60.107 0.01 . 1077 131 143 THR HA H 5.293 0.01 . 1078 131 143 THR CB C 70.219 0.01 . 1079 131 143 THR HB H 3.681 0.01 . 1080 131 143 THR HG2 H 0.378 0.01 . 1081 131 143 THR CG2 C 19.633 0.01 . 1082 132 144 PHE N N 127.243 0.01 . 1083 132 144 PHE H H 8.317 0.01 . 1084 132 144 PHE HA H 4.322 0.01 . 1085 132 144 PHE HB2 H 2.474 0.01 . 1086 132 144 PHE HB3 H 1.936 0.01 . 1087 132 144 PHE HZ H 7.104 0.01 . 1088 132 144 PHE HD1 H 5.628 0.01 . 1089 132 144 PHE HE1 H 6.757 0.01 . 1090 133 145 TYR N N 120.460 0.01 . 1091 133 145 TYR H H 8.534 0.01 . 1092 133 145 TYR CB C 36.326 0.01 . 1093 133 145 TYR HB2 H 2.901 0.01 . 1094 133 145 TYR HB3 H 2.730 0.01 . 1095 133 145 TYR HE1 H 6.720 0.01 . 1096 133 145 TYR HD1 H 7.036 0.01 . 1097 134 146 PRO CD C 49.665 0.01 . 1098 134 146 PRO CA C 61.531 0.01 . 1099 134 146 PRO HA H 4.590 0.012 . 1100 134 146 PRO CB C 30.441 0.01 . 1101 134 146 PRO HB2 H 1.812 0.01 . 1102 134 146 PRO HB3 H 1.874 0.006 . 1103 134 146 PRO CG C 20.955 0.01 . 1104 134 146 PRO HG2 H 2.119 0.01 . 1105 134 146 PRO HG3 H 1.925 0.01 . 1106 134 146 PRO HD2 H 3.355 0.01 . 1107 134 146 PRO HD3 H 3.845 0.01 . 1108 135 147 ARG N N 120.460 0.01 . 1109 135 147 ARG H H 7.847 0.01 . 1110 135 147 ARG CA C 53.123 0.01 . 1111 135 147 ARG HA H 4.343 0.006 . 1112 135 147 ARG CB C 28.223 0.01 . 1113 135 147 ARG HB2 H 1.567 0.003 . 1114 135 147 ARG HB3 H 1.341 0.007 . 1115 135 147 ARG CG C 24.642 0.01 . 1116 135 147 ARG HG2 H 1.299 0.017 . 1117 135 147 ARG HD2 H 2.967 0.011 . 1118 136 148 GLU N N 123.273 0.01 . 1119 136 148 GLU H H 8.399 0.002 . 1120 136 148 GLU CA C 52.714 0.01 . 1121 136 148 GLU HA H 4.498 0.008 . 1122 136 148 GLU CB C 29.046 0.01 . 1123 136 148 GLU HB2 H 1.906 0.012 . 1124 136 148 GLU HB3 H 1.756 0.006 . 1125 136 148 GLU CG C 34.906 0.01 . 1126 136 148 GLU HG2 H 2.184 0.006 . 1127 137 149 PRO CD C 49.602 0.01 . 1128 137 149 PRO CA C 61.874 0.01 . 1129 137 149 PRO HA H 4.343 0.004 . 1130 137 149 PRO CB C 30.968 0.01 . 1131 137 149 PRO HB2 H 2.189 0.004 . 1132 137 149 PRO HB3 H 1.834 0.003 . 1133 137 149 PRO CG C 26.267 0.01 . 1134 137 149 PRO HG2 H 1.930 0.003 . 1135 137 149 PRO HD2 H 3.644 0.003 . 1136 138 150 SER N N 118.309 0.01 . 1137 138 150 SER H H 9.124 0.030 . 1138 138 150 SER CA C 57.746 0.01 . 1139 138 150 SER HA H 4.234 0.006 . 1140 138 150 SER CB C 62.457 0.01 . 1141 138 150 SER HB2 H 3.748 0.004 . 1142 139 151 LYS N N 123.769 0.01 . 1143 139 151 LYS H H 8.061 0.023 . 1144 139 151 LYS CA C 52.866 0.01 . 1145 139 151 LYS HA H 4.538 0.009 . 1146 139 151 LYS CB C 31.683 0.01 . 1147 139 151 LYS HB2 H 1.708 0.004 . 1148 139 151 LYS HB3 H 1.595 0.014 . 1149 139 151 LYS CG C 23.421 0.01 . 1150 139 151 LYS HG2 H 1.342 0.005 . 1151 139 151 LYS HD2 H 1.598 0.01 . 1152 140 152 PRO CD C 49.300 0.01 . 1153 140 152 PRO HA H 4.330 0.01 . 1154 140 152 PRO CG C 25.900 0.01 . 1155 140 152 PRO HG2 H 1.914 0.005 . 1156 140 152 PRO HD2 H 3.710 0.006 . 1157 140 152 PRO HD3 H 3.516 0.009 . 1158 141 153 VAL N N 120.625 0.01 . 1159 141 153 VAL H H 8.152 0.003 . 1160 141 153 VAL CA C 60.891 0.01 . 1161 141 153 VAL HA H 3.946 0.012 . 1162 141 153 VAL CB C 31.708 0.01 . 1163 141 153 VAL HB H 1.949 0.014 . 1164 141 153 VAL HG1 H 0.848 0.005 . 1165 142 154 ALA N N 128.071 0.01 . 1166 142 154 ALA H H 8.265 0.003 . 1167 142 154 ALA CA C 51.004 0.01 . 1168 142 154 ALA HA H 4.198 0.006 . 1169 142 154 ALA HB H 1.262 0.004 . 1170 143 155 GLN N N 120.129 0.01 . 1171 143 155 GLN H H 8.233 0.003 . 1172 143 155 GLN CA C 54.504 0.01 . 1173 143 155 GLN HA H 4.221 0.002 . 1174 143 155 GLN CB C 28.612 0.01 . 1175 143 155 GLN HB2 H 1.964 0.012 . 1176 143 155 GLN HB3 H 1.838 0.015 . 1177 143 155 GLN HG2 H 2.244 0.008 . 1178 143 155 GLN NE2 N 111.195 0.01 . 1179 143 155 GLN HE21 H 7.459 0.001 . 1180 143 155 GLN HE22 H 6.739 0.004 . 1181 144 156 VAL N N 122.280 0.01 . 1182 144 156 VAL H H 8.104 0.015 . 1183 144 156 VAL HA H 3.977 0.009 . 1184 144 156 VAL HG1 H 0.820 0.01 . 1185 145 157 LYS H H 7.871 0.01 . 1186 145 157 LYS HA H 4.005 0.01 . 1187 149 161 GLU H H 8.349 0.01 . 1188 149 161 GLU HA H 4.127 0.01 . stop_ save_