data_15549 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Human C6orf115 Protein ; _BMRB_accession_number 15549 _BMRB_flat_file_name bmr15549.str _Entry_type original _Submission_date 2007-11-08 _Accession_date 2007-11-08 _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 Lin Jinzhong . . 2 Wang Jinfeng . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 489 "13C chemical shifts" 363 "15N chemical shifts" 90 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-03 original author . stop_ _Original_release_date 2012-08-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of Human C6orf115 protein' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Jinzhong . . 2 Wang Jinfeng . . stop_ _Journal_abbreviation 'Not known' _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 . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name c6orf115 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label c6orf115 $entity stop_ _System_molecular_weight 10105.53 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common c6orf115 _Molecular_mass 10105.53 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; MNVDHEVNLLVEEIHRLGSK NADGKLSVKFGVLFRDDKSA NLFEALVGTLKAAKRRKIVT YPGELLLQGVHDDVDIILLQ DLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASN 3 VAL 4 ASP 5 HIS 6 GLU 7 VAL 8 ASN 9 LEU 10 LEU 11 VAL 12 GLU 13 GLU 14 ILE 15 HIS 16 ARG 17 LEU 18 GLY 19 SER 20 LYS 21 ASN 22 ALA 23 ASP 24 GLY 25 LYS 26 LEU 27 SER 28 VAL 29 LYS 30 PHE 31 GLY 32 VAL 33 LEU 34 PHE 35 ARG 36 ASP 37 ASP 38 LYS 39 SER 40 ALA 41 ASN 42 LEU 43 PHE 44 GLU 45 ALA 46 LEU 47 VAL 48 GLY 49 THR 50 LEU 51 LYS 52 ALA 53 ALA 54 LYS 55 ARG 56 ARG 57 LYS 58 ILE 59 VAL 60 THR 61 TYR 62 PRO 63 GLY 64 GLU 65 LEU 66 LEU 67 LEU 68 GLN 69 GLY 70 VAL 71 HIS 72 ASP 73 ASP 74 VAL 75 ASP 76 ILE 77 ILE 78 LEU 79 LEU 80 GLN 81 ASP 82 LEU 83 GLU 84 HIS 85 HIS 86 HIS 87 HIS 88 HIS 89 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 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 2L2O "Solution Structure Of Human Hspc280 Protein" 100.00 89 100.00 100.00 2.05e-54 GB AAF28958 "HSPC280 [Homo sapiens]" 91.01 141 98.77 98.77 6.33e-48 GB AAF71102 "PRO2013 [Homo sapiens]" 91.01 81 98.77 98.77 6.52e-48 GB AAH14953 "C6orf115 protein [Homo sapiens]" 91.01 81 98.77 98.77 6.52e-48 GB AIC62228 "ABRACL, partial [synthetic construct]" 91.01 80 97.53 97.53 2.19e-45 GB EAW47902 "hCG1640751 [Homo sapiens]" 91.01 81 98.77 98.77 6.52e-48 REF NP_067066 "costars family protein ABRACL [Homo sapiens]" 91.01 81 98.77 98.77 6.52e-48 REF XP_001159255 "PREDICTED: costars family protein ABRACL [Pan troglodytes]" 91.01 81 98.77 98.77 6.52e-48 REF XP_002817467 "PREDICTED: costars family protein ABRACL [Pongo abelii]" 91.01 81 97.53 97.53 1.63e-46 REF XP_003121220 "PREDICTED: costars family protein ABRACL isoform X2 [Sus scrofa]" 91.01 86 97.53 98.77 5.36e-48 REF XP_003255842 "PREDICTED: costars family protein ABRACL [Nomascus leucogenys]" 91.01 81 98.77 98.77 6.52e-48 SP Q9P1F3 "RecName: Full=Costars family protein ABRACL; AltName: Full=ABRA C-terminal-like protein" 91.01 81 98.77 98.77 6.52e-48 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity Human 9606 Eukaryota Metazoa Homo sapiens C6orf115 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 $entity 'recombinant technology' . Escherichia coli BL21(DE3) PET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C_15N-labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.5 mM '[U-100% 13C; U-100% 15N]' 'potassium chloride' 20 mM 'natural abundance' 'sodium acetate/acetic acid' 50 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' stop_ save_ save_15N-labeled _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.5 mM '[U-100% 15N]' 'potassium chloride' 20 mM 'natural abundance' 'sodium acetate/acetic acid' 50 mM 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details cryo-probe save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N-labeled save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $13C_15N-labeled save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $13C_15N-labeled save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C_15N-labeled save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $13C_15N-labeled save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N-labeled save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $15N-labeled save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $13C_15N-labeled save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $13C_15N-labeled save_ save_3D_HNCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C_15N-labeled save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $13C_15N-labeled save_ save_3D_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C_15N-labeled save_ save_3D_CCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $13C_15N-labeled 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' 0.07 . M pH 4.4 . pH pressure 1 . atm temperature 310 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 $SPARKY $AutoAssign stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HCCH-TOCSY' '3D HN(CO)CA' '3D HNCA' '3D HNCO' '3D CCH-TOCSY' stop_ loop_ _Sample_label $15N-labeled $13C_15N-labeled stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name c6orf115 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.153 0.020 1 2 1 1 MET HB2 H 2.175 0.020 2 3 1 1 MET HB3 H 2.173 0.020 2 4 1 1 MET CA C 55.026 0.400 1 5 1 1 MET CB C 33.034 0.400 1 6 1 1 MET CG C 30.754 0.400 1 7 2 2 ASN H H 9.118 0.020 1 8 2 2 ASN HA H 4.910 0.020 1 9 2 2 ASN HB2 H 2.858 0.020 2 10 2 2 ASN HB3 H 3.004 0.020 2 11 2 2 ASN HD21 H 7.701 0.020 2 12 2 2 ASN HD22 H 7.067 0.020 2 13 2 2 ASN C C 175.303 0.400 1 14 2 2 ASN CA C 52.768 0.400 1 15 2 2 ASN CB C 38.734 0.400 1 16 2 2 ASN N N 123.789 0.400 1 17 2 2 ASN ND2 N 112.577 0.400 1 18 3 3 VAL H H 8.561 0.020 1 19 3 3 VAL HA H 3.862 0.020 1 20 3 3 VAL HB H 2.103 0.020 1 21 3 3 VAL HG1 H 1.035 0.020 2 22 3 3 VAL HG2 H 0.953 0.020 2 23 3 3 VAL C C 176.676 0.400 1 24 3 3 VAL CA C 65.533 0.400 1 25 3 3 VAL CB C 31.996 0.400 1 26 3 3 VAL CG1 C 21.832 0.400 1 27 3 3 VAL CG2 C 20.846 0.400 1 28 3 3 VAL N N 124.134 0.400 1 29 4 4 ASP H H 8.212 0.020 1 30 4 4 ASP HA H 4.382 0.020 1 31 4 4 ASP HB2 H 2.741 0.020 2 32 4 4 ASP HB3 H 2.745 0.020 2 33 4 4 ASP C C 178.304 0.400 1 34 4 4 ASP CA C 57.359 0.400 1 35 4 4 ASP CB C 40.311 0.400 1 36 4 4 ASP N N 120.304 0.400 1 37 5 5 HIS H H 8.114 0.020 1 38 5 5 HIS HA H 4.423 0.020 1 39 5 5 HIS HB2 H 3.389 0.020 2 40 5 5 HIS HD2 H 7.394 0.020 1 41 5 5 HIS C C 177.094 0.400 1 42 5 5 HIS CA C 58.690 0.400 1 43 5 5 HIS CB C 28.515 0.400 1 44 5 5 HIS N N 117.968 0.400 1 45 6 6 GLU H H 8.256 0.020 1 46 6 6 GLU HA H 4.084 0.020 1 47 6 6 GLU HB2 H 2.500 0.020 2 48 6 6 GLU HB3 H 2.274 0.020 2 49 6 6 GLU HG2 H 2.570 0.020 2 50 6 6 GLU HG3 H 2.564 0.020 2 51 6 6 GLU C C 178.684 0.400 1 52 6 6 GLU CA C 59.474 0.400 1 53 6 6 GLU CB C 29.138 0.400 1 54 6 6 GLU CG C 36.643 0.400 1 55 6 6 GLU N N 118.599 0.400 1 56 7 7 VAL H H 8.684 0.020 1 57 7 7 VAL HA H 3.542 0.020 1 58 7 7 VAL HB H 2.219 0.020 1 59 7 7 VAL HG1 H 1.085 0.020 2 60 7 7 VAL HG2 H 0.976 0.020 2 61 7 7 VAL C C 177.233 0.400 1 62 7 7 VAL CA C 66.923 0.400 1 63 7 7 VAL CB C 31.355 0.400 1 64 7 7 VAL CG1 C 23.556 0.400 1 65 7 7 VAL CG2 C 22.149 0.400 1 66 7 7 VAL N N 119.882 0.400 1 67 8 8 ASN H H 7.904 0.020 1 68 8 8 ASN HA H 4.403 0.020 1 69 8 8 ASN HB2 H 2.789 0.020 2 70 8 8 ASN HB3 H 2.891 0.020 2 71 8 8 ASN HD21 H 7.490 0.020 2 72 8 8 ASN HD22 H 6.846 0.020 2 73 8 8 ASN C C 178.031 0.400 1 74 8 8 ASN CA C 56.799 0.400 1 75 8 8 ASN CB C 37.920 0.400 1 76 8 8 ASN N N 118.563 0.400 1 77 8 8 ASN ND2 N 111.278 0.400 1 78 9 9 LEU H H 7.812 0.020 1 79 9 9 LEU HA H 4.113 0.020 1 80 9 9 LEU HB2 H 1.634 0.020 2 81 9 9 LEU HB3 H 1.574 0.020 2 82 9 9 LEU HD1 H 0.757 0.020 2 83 9 9 LEU HD2 H 0.545 0.020 2 84 9 9 LEU HG H 1.345 0.020 1 85 9 9 LEU C C 178.708 0.400 1 86 9 9 LEU CA C 57.682 0.400 1 87 9 9 LEU CB C 41.586 0.400 1 88 9 9 LEU CD1 C 24.076 0.400 1 89 9 9 LEU CD2 C 24.354 0.400 1 90 9 9 LEU CG C 26.682 0.400 1 91 9 9 LEU N N 121.444 0.400 1 92 10 10 LEU H H 8.257 0.020 1 93 10 10 LEU HA H 4.175 0.020 1 94 10 10 LEU HB2 H 2.373 0.020 2 95 10 10 LEU HB3 H 1.548 0.020 2 96 10 10 LEU HD1 H 0.780 0.020 2 97 10 10 LEU HD2 H 0.780 0.020 2 98 10 10 LEU HG H 1.495 0.020 1 99 10 10 LEU C C 177.974 0.400 1 100 10 10 LEU CA C 58.592 0.400 1 101 10 10 LEU CB C 41.411 0.400 1 102 10 10 LEU CD1 C 23.602 0.400 1 103 10 10 LEU CD2 C 26.936 0.400 1 104 10 10 LEU CG C 27.142 0.400 1 105 10 10 LEU N N 121.381 0.400 1 106 11 11 VAL H H 8.221 0.020 1 107 11 11 VAL HA H 3.412 0.020 1 108 11 11 VAL HB H 2.341 0.020 1 109 11 11 VAL HG1 H 1.087 0.020 2 110 11 11 VAL HG2 H 1.097 0.020 2 111 11 11 VAL C C 178.503 0.400 1 112 11 11 VAL CA C 67.797 0.400 1 113 11 11 VAL CB C 31.705 0.400 1 114 11 11 VAL CG1 C 23.052 0.400 1 115 11 11 VAL CG2 C 22.259 0.400 1 116 11 11 VAL N N 118.850 0.400 1 117 12 12 GLU H H 8.028 0.020 1 118 12 12 GLU HA H 4.124 0.020 1 119 12 12 GLU HB2 H 2.277 0.020 2 120 12 12 GLU HB3 H 2.274 0.020 2 121 12 12 GLU HG2 H 2.363 0.020 2 122 12 12 GLU HG3 H 2.519 0.020 2 123 12 12 GLU C C 179.689 0.400 1 124 12 12 GLU CA C 59.774 0.400 1 125 12 12 GLU CB C 28.689 0.400 1 126 12 12 GLU CG C 35.233 0.400 1 127 12 12 GLU N N 120.086 0.400 1 128 13 13 GLU H H 8.661 0.020 1 129 13 13 GLU HA H 4.219 0.020 1 130 13 13 GLU HB2 H 2.370 0.020 2 131 13 13 GLU HB3 H 2.112 0.020 2 132 13 13 GLU HG2 H 2.490 0.020 2 133 13 13 GLU HG3 H 2.357 0.020 2 134 13 13 GLU C C 178.611 0.400 1 135 13 13 GLU CA C 58.674 0.400 1 136 13 13 GLU CB C 29.232 0.400 1 137 13 13 GLU CG C 35.263 0.400 1 138 13 13 GLU N N 120.601 0.400 1 139 14 14 ILE H H 8.617 0.020 1 140 14 14 ILE HA H 3.439 0.020 1 141 14 14 ILE HB H 1.873 0.020 1 142 14 14 ILE HD1 H 0.697 0.020 1 143 14 14 ILE HG12 H 0.796 0.020 2 144 14 14 ILE HG13 H 2.080 0.020 2 145 14 14 ILE HG2 H 0.735 0.020 1 146 14 14 ILE C C 178.272 0.400 1 147 14 14 ILE CA C 66.837 0.400 1 148 14 14 ILE CB C 37.123 0.400 1 149 14 14 ILE CD1 C 14.438 0.400 1 150 14 14 ILE CG1 C 29.107 0.400 1 151 14 14 ILE CG2 C 17.777 0.400 1 152 14 14 ILE N N 120.425 0.400 1 153 15 15 HIS H H 8.161 0.020 1 154 15 15 HIS HA H 4.114 0.020 1 155 15 15 HIS HB2 H 3.405 0.020 2 156 15 15 HIS HB3 H 3.238 0.020 2 157 15 15 HIS HD2 H 7.216 0.020 1 158 15 15 HIS C C 176.379 0.400 1 159 15 15 HIS CA C 59.746 0.400 1 160 15 15 HIS CB C 28.131 0.400 1 161 15 15 HIS N N 116.440 0.400 1 162 16 16 ARG H H 8.056 0.020 1 163 16 16 ARG HA H 4.187 0.020 1 164 16 16 ARG HB2 H 1.945 0.020 2 165 16 16 ARG HB3 H 1.942 0.020 2 166 16 16 ARG HD2 H 3.357 0.020 2 167 16 16 ARG HD3 H 3.169 0.020 2 168 16 16 ARG HE H 7.793 0.020 1 169 16 16 ARG HG2 H 1.556 0.020 2 170 16 16 ARG HG3 H 1.723 0.020 2 171 16 16 ARG C C 178.053 0.400 1 172 16 16 ARG CA C 59.343 0.400 1 173 16 16 ARG CB C 31.698 0.400 1 174 16 16 ARG CD C 43.298 0.400 1 175 16 16 ARG CG C 28.115 0.400 1 176 16 16 ARG N N 118.592 0.400 1 177 16 16 ARG NE N 83.086 0.400 1 178 17 17 LEU H H 8.239 0.020 1 179 17 17 LEU HA H 4.482 0.020 1 180 17 17 LEU HB2 H 1.625 0.020 2 181 17 17 LEU HB3 H 1.497 0.020 2 182 17 17 LEU HD1 H 0.825 0.020 2 183 17 17 LEU HD2 H 0.805 0.020 2 184 17 17 LEU HG H 1.643 0.020 1 185 17 17 LEU C C 178.399 0.400 1 186 17 17 LEU CA C 55.015 0.400 1 187 17 17 LEU CB C 45.056 0.400 1 188 17 17 LEU CD1 C 22.048 0.400 1 189 17 17 LEU CD2 C 25.738 0.400 1 190 17 17 LEU CG C 26.929 0.400 1 191 17 17 LEU N N 115.352 0.400 1 192 18 18 GLY H H 8.265 0.020 1 193 18 18 GLY HA2 H 4.384 0.020 2 194 18 18 GLY HA3 H 3.668 0.020 2 195 18 18 GLY C C 172.640 0.400 1 196 18 18 GLY CA C 45.357 0.400 1 197 18 18 GLY N N 107.834 0.400 1 198 19 19 SER H H 8.747 0.020 1 199 19 19 SER HA H 4.758 0.020 1 200 19 19 SER HB2 H 3.892 0.020 2 201 19 19 SER HB3 H 3.844 0.020 2 202 19 19 SER C C 173.842 0.400 1 203 19 19 SER CA C 57.001 0.400 1 204 19 19 SER CB C 65.716 0.400 1 205 19 19 SER N N 112.640 0.400 1 206 20 20 LYS H H 8.757 0.020 1 207 20 20 LYS HA H 4.399 0.020 1 208 20 20 LYS HB2 H 1.726 0.020 2 209 20 20 LYS HB3 H 1.674 0.020 2 210 20 20 LYS HD2 H 1.655 0.020 2 211 20 20 LYS HD3 H 1.651 0.020 2 212 20 20 LYS HE2 H 2.981 0.020 2 213 20 20 LYS HE3 H 2.977 0.020 2 214 20 20 LYS HG2 H 1.384 0.020 2 215 20 20 LYS HG3 H 1.326 0.020 2 216 20 20 LYS C C 176.801 0.400 1 217 20 20 LYS CA C 57.078 0.400 1 218 20 20 LYS CB C 33.205 0.400 1 219 20 20 LYS CD C 29.441 0.400 1 220 20 20 LYS CE C 41.901 0.400 1 221 20 20 LYS CG C 25.471 0.400 1 222 20 20 LYS N N 124.054 0.400 1 223 21 21 ASN H H 8.962 0.020 1 224 21 21 ASN HA H 4.782 0.020 1 225 21 21 ASN HB2 H 3.007 0.020 2 226 21 21 ASN HB3 H 3.512 0.020 2 227 21 21 ASN HD21 H 7.702 0.020 2 228 21 21 ASN HD22 H 6.994 0.020 2 229 21 21 ASN C C 177.449 0.400 1 230 21 21 ASN CA C 50.890 0.400 1 231 21 21 ASN CB C 38.945 0.400 1 232 21 21 ASN N N 124.820 0.400 1 233 21 21 ASN ND2 N 109.957 0.400 1 234 22 22 ALA H H 8.485 0.020 1 235 22 22 ALA HA H 4.137 0.020 1 236 22 22 ALA HB H 1.448 0.020 1 237 22 22 ALA C C 178.310 0.400 1 238 22 22 ALA CA C 54.935 0.400 1 239 22 22 ALA CB C 18.357 0.400 1 240 22 22 ALA N N 121.612 0.400 1 241 23 23 ASP H H 7.602 0.020 1 242 23 23 ASP HA H 4.746 0.020 1 243 23 23 ASP HB2 H 2.657 0.020 2 244 23 23 ASP HB3 H 2.838 0.020 2 245 23 23 ASP C C 176.340 0.400 1 246 23 23 ASP CA C 53.723 0.400 1 247 23 23 ASP CB C 41.353 0.400 1 248 23 23 ASP N N 115.045 0.400 1 249 24 24 GLY H H 8.239 0.020 1 250 24 24 GLY HA2 H 4.246 0.020 2 251 24 24 GLY HA3 H 3.604 0.020 2 252 24 24 GLY C C 173.901 0.400 1 253 24 24 GLY CA C 45.579 0.400 1 254 24 24 GLY N N 107.730 0.400 1 255 25 25 LYS H H 7.729 0.020 1 256 25 25 LYS HA H 4.586 0.020 1 257 25 25 LYS HB2 H 1.895 0.020 2 258 25 25 LYS HB3 H 1.614 0.020 2 259 25 25 LYS HD2 H 1.657 0.020 2 260 25 25 LYS HD3 H 1.652 0.020 2 261 25 25 LYS HE2 H 3.008 0.020 2 262 25 25 LYS HE3 H 2.967 0.020 2 263 25 25 LYS HG2 H 1.345 0.020 2 264 25 25 LYS HG3 H 1.331 0.020 2 265 25 25 LYS C C 176.011 0.400 1 266 25 25 LYS CA C 54.327 0.400 1 267 25 25 LYS CB C 33.678 0.400 1 268 25 25 LYS CD C 28.618 0.400 1 269 25 25 LYS CE C 42.532 0.400 1 270 25 25 LYS CG C 25.241 0.400 1 271 25 25 LYS N N 119.857 0.400 1 272 26 26 LEU H H 8.902 0.020 1 273 26 26 LEU HA H 4.269 0.020 1 274 26 26 LEU HB2 H 1.624 0.020 2 275 26 26 LEU HB3 H 1.112 0.020 2 276 26 26 LEU HD1 H 0.617 0.020 2 277 26 26 LEU HD2 H 0.616 0.020 2 278 26 26 LEU HG H 1.482 0.020 1 279 26 26 LEU C C 175.280 0.400 1 280 26 26 LEU CA C 55.215 0.400 1 281 26 26 LEU CB C 43.416 0.400 1 282 26 26 LEU CD1 C 25.125 0.400 1 283 26 26 LEU CD2 C 23.767 0.400 1 284 26 26 LEU CG C 27.347 0.400 1 285 26 26 LEU N N 123.858 0.400 1 286 27 27 SER H H 8.456 0.020 1 287 27 27 SER HA H 5.627 0.020 1 288 27 27 SER HB2 H 3.674 0.020 2 289 27 27 SER HB3 H 3.627 0.020 2 290 27 27 SER C C 172.880 0.400 1 291 27 27 SER CA C 56.083 0.400 1 292 27 27 SER CB C 67.094 0.400 1 293 27 27 SER N N 115.137 0.400 1 294 28 28 VAL H H 9.007 0.020 1 295 28 28 VAL HA H 4.755 0.020 1 296 28 28 VAL HB H 1.867 0.020 1 297 28 28 VAL HG1 H 1.096 0.020 2 298 28 28 VAL HG2 H 0.899 0.020 2 299 28 28 VAL C C 172.601 0.400 1 300 28 28 VAL CA C 59.168 0.400 1 301 28 28 VAL CB C 36.125 0.400 1 302 28 28 VAL CG1 C 22.031 0.400 1 303 28 28 VAL CG2 C 21.370 0.400 1 304 28 28 VAL N N 122.709 0.400 1 305 29 29 LYS H H 8.326 0.020 1 306 29 29 LYS HA H 5.008 0.020 1 307 29 29 LYS HB2 H 2.232 0.020 2 308 29 29 LYS HB3 H 1.850 0.020 2 309 29 29 LYS HD2 H 1.758 0.020 2 310 29 29 LYS HD3 H 1.549 0.020 2 311 29 29 LYS HE2 H 3.115 0.020 2 312 29 29 LYS HE3 H 2.961 0.020 2 313 29 29 LYS HG2 H 1.584 0.020 2 314 29 29 LYS HG3 H 1.562 0.020 2 315 29 29 LYS C C 179.462 0.400 1 316 29 29 LYS CA C 55.541 0.400 1 317 29 29 LYS CB C 33.284 0.400 1 318 29 29 LYS CD C 29.122 0.400 1 319 29 29 LYS CE C 42.535 0.400 1 320 29 29 LYS CG C 25.631 0.400 1 321 29 29 LYS N N 125.983 0.400 1 322 30 30 PHE H H 9.403 0.020 1 323 30 30 PHE HA H 4.114 0.020 1 324 30 30 PHE HB2 H 3.061 0.020 2 325 30 30 PHE HB3 H 3.416 0.020 2 326 30 30 PHE HD1 H 6.957 0.020 1 327 30 30 PHE C C 176.829 0.400 1 328 30 30 PHE CA C 61.660 0.400 1 329 30 30 PHE CB C 38.257 0.400 1 330 30 30 PHE CD1 C 131.641 0.400 1 331 30 30 PHE N N 123.596 0.400 1 332 31 31 GLY H H 9.511 0.020 1 333 31 31 GLY HA2 H 3.473 0.020 2 334 31 31 GLY HA3 H 3.797 0.020 2 335 31 31 GLY C C 175.606 0.400 1 336 31 31 GLY CA C 46.843 0.400 1 337 31 31 GLY N N 103.466 0.400 1 338 32 32 VAL H H 6.886 0.020 1 339 32 32 VAL HA H 3.660 0.020 1 340 32 32 VAL HB H 2.270 0.020 1 341 32 32 VAL HG1 H 1.093 0.020 2 342 32 32 VAL HG2 H 0.959 0.020 2 343 32 32 VAL C C 178.333 0.400 1 344 32 32 VAL CA C 65.454 0.400 1 345 32 32 VAL CB C 31.952 0.400 1 346 32 32 VAL CG1 C 22.514 0.400 1 347 32 32 VAL CG2 C 21.560 0.400 1 348 32 32 VAL N N 120.057 0.400 1 349 33 33 LEU H H 7.387 0.020 1 350 33 33 LEU HA H 3.953 0.020 1 351 33 33 LEU HB2 H 1.605 0.020 2 352 33 33 LEU HB3 H 1.605 0.020 2 353 33 33 LEU HD1 H 0.778 0.020 2 354 33 33 LEU HD2 H 0.836 0.020 2 355 33 33 LEU HG H 1.611 0.020 1 356 33 33 LEU C C 177.814 0.400 1 357 33 33 LEU CA C 57.456 0.400 1 358 33 33 LEU CB C 42.494 0.400 1 359 33 33 LEU CD1 C 24.820 0.400 1 360 33 33 LEU CD2 C 24.809 0.400 1 361 33 33 LEU CG C 26.450 0.400 1 362 33 33 LEU N N 120.142 0.400 1 363 34 34 PHE H H 8.612 0.020 1 364 34 34 PHE HA H 3.940 0.020 1 365 34 34 PHE HB2 H 2.649 0.020 2 366 34 34 PHE HB3 H 2.384 0.020 2 367 34 34 PHE HD1 H 6.876 0.020 1 368 34 34 PHE C C 177.015 0.400 1 369 34 34 PHE CA C 60.357 0.400 1 370 34 34 PHE CB C 38.750 0.400 1 371 34 34 PHE CD1 C 131.920 0.400 1 372 34 34 PHE N N 117.777 0.400 1 373 35 35 ARG H H 7.576 0.020 1 374 35 35 ARG HA H 3.965 0.020 1 375 35 35 ARG HB2 H 1.869 0.020 2 376 35 35 ARG HB3 H 1.873 0.020 2 377 35 35 ARG HD2 H 3.226 0.020 2 378 35 35 ARG HD3 H 3.154 0.020 2 379 35 35 ARG HE H 7.273 0.020 1 380 35 35 ARG HG2 H 1.599 0.020 2 381 35 35 ARG HG3 H 1.831 0.020 2 382 35 35 ARG C C 177.890 0.400 1 383 35 35 ARG CA C 58.673 0.400 1 384 35 35 ARG CB C 30.213 0.400 1 385 35 35 ARG CD C 43.487 0.400 1 386 35 35 ARG CG C 28.281 0.400 1 387 35 35 ARG N N 118.160 0.400 1 388 35 35 ARG NE N 84.953 0.400 1 389 36 36 ASP H H 7.784 0.020 1 390 36 36 ASP HA H 4.476 0.020 1 391 36 36 ASP HB2 H 2.922 0.020 2 392 36 36 ASP HB3 H 2.765 0.020 2 393 36 36 ASP C C 176.830 0.400 1 394 36 36 ASP CA C 56.119 0.400 1 395 36 36 ASP CB C 40.669 0.400 1 396 36 36 ASP N N 119.724 0.400 1 397 37 37 ASP H H 8.191 0.020 1 398 37 37 ASP HA H 4.439 0.020 1 399 37 37 ASP HB2 H 2.818 0.020 2 400 37 37 ASP HB3 H 2.819 0.020 2 401 37 37 ASP C C 177.408 0.400 1 402 37 37 ASP CA C 56.370 0.400 1 403 37 37 ASP CB C 41.679 0.400 1 404 37 37 ASP N N 119.019 0.400 1 405 38 38 LYS H H 8.031 0.020 1 406 38 38 LYS HA H 4.093 0.020 1 407 38 38 LYS HB2 H 1.783 0.020 2 408 38 38 LYS HB3 H 1.763 0.020 2 409 38 38 LYS HD2 H 1.594 0.020 2 410 38 38 LYS HD3 H 1.598 0.020 2 411 38 38 LYS HE2 H 2.897 0.020 2 412 38 38 LYS HE3 H 3.015 0.020 2 413 38 38 LYS HG2 H 1.366 0.020 2 414 38 38 LYS HG3 H 1.298 0.020 2 415 38 38 LYS C C 178.198 0.400 1 416 38 38 LYS CA C 57.560 0.400 1 417 38 38 LYS CB C 31.889 0.400 1 418 38 38 LYS CD C 28.373 0.400 1 419 38 38 LYS CE C 42.225 0.400 1 420 38 38 LYS CG C 24.414 0.400 1 421 38 38 LYS N N 118.029 0.400 1 422 39 39 SER H H 7.902 0.020 1 423 39 39 SER HA H 4.333 0.020 1 424 39 39 SER HB2 H 3.972 0.020 2 425 39 39 SER HB3 H 3.974 0.020 2 426 39 39 SER C C 175.008 0.400 1 427 39 39 SER CA C 59.944 0.400 1 428 39 39 SER CB C 63.685 0.400 1 429 39 39 SER N N 113.300 0.400 1 430 40 40 ALA H H 7.841 0.020 1 431 40 40 ALA HA H 4.435 0.020 1 432 40 40 ALA HB H 1.364 0.020 1 433 40 40 ALA C C 177.022 0.400 1 434 40 40 ALA CA C 52.687 0.400 1 435 40 40 ALA CB C 19.535 0.400 1 436 40 40 ALA N N 122.875 0.400 1 437 41 41 ASN H H 8.317 0.020 1 438 41 41 ASN HA H 4.547 0.020 1 439 41 41 ASN HB2 H 2.864 0.020 2 440 41 41 ASN HB3 H 2.745 0.020 2 441 41 41 ASN HD21 H 7.493 0.020 2 442 41 41 ASN HD22 H 6.821 0.020 2 443 41 41 ASN C C 175.546 0.400 1 444 41 41 ASN CA C 54.328 0.400 1 445 41 41 ASN CB C 37.665 0.400 1 446 41 41 ASN N N 117.704 0.400 1 447 41 41 ASN ND2 N 111.915 0.400 1 448 42 42 LEU H H 7.732 0.020 1 449 42 42 LEU HA H 4.052 0.020 1 450 42 42 LEU HB2 H 1.118 0.020 2 451 42 42 LEU HB3 H 1.621 0.020 2 452 42 42 LEU HD1 H 0.724 0.020 2 453 42 42 LEU HD2 H 0.775 0.020 2 454 42 42 LEU HG H 1.439 0.020 1 455 42 42 LEU C C 177.394 0.400 1 456 42 42 LEU CA C 57.000 0.400 1 457 42 42 LEU CB C 43.603 0.400 1 458 42 42 LEU CD1 C 23.349 0.400 1 459 42 42 LEU CD2 C 25.191 0.400 1 460 42 42 LEU CG C 26.831 0.400 1 461 42 42 LEU N N 119.631 0.400 1 462 43 43 PHE H H 8.641 0.020 1 463 43 43 PHE HA H 4.454 0.020 1 464 43 43 PHE HB2 H 3.080 0.020 2 465 43 43 PHE HB3 H 2.940 0.020 2 466 43 43 PHE HD1 H 7.220 0.020 1 467 43 43 PHE HE1 H 7.226 0.020 1 468 43 43 PHE HZ H 6.885 0.020 1 469 43 43 PHE CA C 58.282 0.400 1 470 43 43 PHE CB C 39.751 0.400 1 471 43 43 PHE CD1 C 132.696 0.400 1 472 43 43 PHE CE1 C 131.009 0.400 1 473 43 43 PHE CZ C 128.590 0.400 1 474 43 43 PHE N N 117.525 0.400 1 475 44 44 GLU H H 9.129 0.020 1 476 44 44 GLU HA H 4.039 0.020 1 477 44 44 GLU HB2 H 2.075 0.020 2 478 44 44 GLU HB3 H 2.082 0.020 2 479 44 44 GLU HG2 H 2.347 0.020 2 480 44 44 GLU HG3 H 2.456 0.020 2 481 44 44 GLU CA C 59.432 0.400 1 482 44 44 GLU CB C 29.090 0.400 1 483 44 44 GLU CG C 35.781 0.400 1 484 44 44 GLU N N 123.326 0.400 1 485 45 45 ALA HA H 4.470 0.020 1 486 45 45 ALA HB H 1.414 0.020 1 487 45 45 ALA C C 177.239 0.400 1 488 45 45 ALA CA C 52.408 0.400 1 489 45 45 ALA CB C 18.548 0.400 1 490 46 46 LEU H H 8.704 0.020 1 491 46 46 LEU HA H 3.751 0.020 1 492 46 46 LEU HB2 H 1.807 0.020 2 493 46 46 LEU HB3 H 1.574 0.020 2 494 46 46 LEU HD1 H 0.771 0.020 2 495 46 46 LEU HD2 H 0.377 0.020 2 496 46 46 LEU HG H 1.389 0.020 1 497 46 46 LEU C C 178.069 0.400 1 498 46 46 LEU CA C 59.079 0.400 1 499 46 46 LEU CB C 41.263 0.400 1 500 46 46 LEU CD1 C 26.201 0.400 1 501 46 46 LEU CD2 C 21.829 0.400 1 502 46 46 LEU CG C 27.255 0.400 1 503 46 46 LEU N N 126.652 0.400 1 504 47 47 VAL H H 8.604 0.020 1 505 47 47 VAL HA H 3.627 0.020 1 506 47 47 VAL HB H 2.107 0.020 1 507 47 47 VAL HG1 H 1.006 0.020 2 508 47 47 VAL HG2 H 0.972 0.020 2 509 47 47 VAL C C 178.591 0.400 1 510 47 47 VAL CA C 67.330 0.400 1 511 47 47 VAL CB C 31.148 0.400 1 512 47 47 VAL CG1 C 22.557 0.400 1 513 47 47 VAL CG2 C 21.797 0.400 1 514 47 47 VAL N N 116.250 0.400 1 515 48 48 GLY H H 7.799 0.020 1 516 48 48 GLY HA2 H 3.865 0.020 2 517 48 48 GLY HA3 H 4.021 0.020 2 518 48 48 GLY C C 177.213 0.400 1 519 48 48 GLY CA C 47.227 0.400 1 520 48 48 GLY N N 108.082 0.400 1 521 49 49 THR H H 8.463 0.020 1 522 49 49 THR HA H 3.914 0.020 1 523 49 49 THR HB H 4.173 0.020 1 524 49 49 THR HG2 H 1.130 0.020 1 525 49 49 THR C C 176.169 0.400 1 526 49 49 THR CA C 67.452 0.400 1 527 49 49 THR CB C 68.175 0.400 1 528 49 49 THR CG2 C 22.825 0.400 1 529 49 49 THR N N 122.799 0.400 1 530 50 50 LEU H H 8.605 0.020 1 531 50 50 LEU HA H 3.808 0.020 1 532 50 50 LEU HB2 H 1.387 0.020 2 533 50 50 LEU HB3 H 1.970 0.020 2 534 50 50 LEU HD1 H 0.749 0.020 2 535 50 50 LEU HD2 H 0.781 0.020 2 536 50 50 LEU HG H 1.557 0.020 1 537 50 50 LEU C C 178.230 0.400 1 538 50 50 LEU CA C 59.035 0.400 1 539 50 50 LEU CB C 40.986 0.400 1 540 50 50 LEU CD1 C 26.517 0.400 1 541 50 50 LEU CD2 C 25.395 0.400 1 542 50 50 LEU CG C 27.696 0.400 1 543 50 50 LEU N N 123.644 0.400 1 544 51 51 LYS H H 8.015 0.020 1 545 51 51 LYS HA H 4.254 0.020 1 546 51 51 LYS HB2 H 1.948 0.020 2 547 51 51 LYS HB3 H 1.950 0.020 2 548 51 51 LYS HD2 H 1.718 0.020 2 549 51 51 LYS HD3 H 1.721 0.020 2 550 51 51 LYS HE2 H 2.971 0.020 2 551 51 51 LYS HE3 H 2.970 0.020 2 552 51 51 LYS HG2 H 1.485 0.020 2 553 51 51 LYS HG3 H 1.710 0.020 2 554 51 51 LYS C C 179.897 0.400 1 555 51 51 LYS CA C 60.005 0.400 1 556 51 51 LYS CB C 32.597 0.400 1 557 51 51 LYS CD C 29.923 0.400 1 558 51 51 LYS CE C 42.023 0.400 1 559 51 51 LYS CG C 25.422 0.400 1 560 51 51 LYS N N 119.293 0.400 1 561 52 52 ALA H H 7.939 0.020 1 562 52 52 ALA HA H 4.143 0.020 1 563 52 52 ALA HB H 1.489 0.020 1 564 52 52 ALA C C 180.184 0.400 1 565 52 52 ALA CA C 55.018 0.400 1 566 52 52 ALA CB C 18.021 0.400 1 567 52 52 ALA N N 122.833 0.400 1 568 53 53 ALA H H 8.899 0.020 1 569 53 53 ALA HA H 3.965 0.020 1 570 53 53 ALA HB H 1.506 0.020 1 571 53 53 ALA C C 179.364 0.400 1 572 53 53 ALA CA C 54.917 0.400 1 573 53 53 ALA CB C 19.263 0.400 1 574 53 53 ALA N N 120.028 0.400 1 575 54 54 LYS H H 8.777 0.020 1 576 54 54 LYS HA H 4.650 0.020 1 577 54 54 LYS HB2 H 1.714 0.020 2 578 54 54 LYS HB3 H 2.008 0.020 2 579 54 54 LYS HD2 H 1.180 0.020 2 580 54 54 LYS HD3 H 0.522 0.020 2 581 54 54 LYS HE2 H 2.747 0.020 2 582 54 54 LYS HE3 H 2.728 0.020 2 583 54 54 LYS HG2 H 1.353 0.020 2 584 54 54 LYS HG3 H 1.242 0.020 2 585 54 54 LYS C C 181.348 0.400 1 586 54 54 LYS CA C 58.895 0.400 1 587 54 54 LYS CB C 32.080 0.400 1 588 54 54 LYS CD C 29.131 0.400 1 589 54 54 LYS CE C 42.340 0.400 1 590 54 54 LYS CG C 25.761 0.400 1 591 54 54 LYS N N 122.964 0.400 1 592 55 55 ARG H H 8.307 0.020 1 593 55 55 ARG HA H 4.130 0.020 1 594 55 55 ARG HB2 H 2.061 0.020 2 595 55 55 ARG HB3 H 2.063 0.020 2 596 55 55 ARG HD2 H 3.272 0.020 2 597 55 55 ARG HD3 H 3.270 0.020 2 598 55 55 ARG HE H 7.316 0.020 1 599 55 55 ARG HG2 H 1.838 0.020 2 600 55 55 ARG HG3 H 1.747 0.020 2 601 55 55 ARG C C 178.317 0.400 1 602 55 55 ARG CA C 59.512 0.400 1 603 55 55 ARG CB C 29.839 0.400 1 604 55 55 ARG CD C 43.460 0.400 1 605 55 55 ARG CG C 27.549 0.400 1 606 55 55 ARG N N 123.491 0.400 1 607 55 55 ARG NE N 84.756 0.400 1 608 56 56 ARG H H 7.575 0.020 1 609 56 56 ARG HA H 4.275 0.020 1 610 56 56 ARG HB2 H 2.283 0.020 2 611 56 56 ARG HB3 H 1.616 0.020 2 612 56 56 ARG HD2 H 3.157 0.020 2 613 56 56 ARG HD3 H 3.050 0.020 2 614 56 56 ARG HE H 7.339 0.020 1 615 56 56 ARG HG2 H 1.788 0.020 2 616 56 56 ARG HG3 H 1.965 0.020 2 617 56 56 ARG C C 174.497 0.400 1 618 56 56 ARG CA C 56.451 0.400 1 619 56 56 ARG CB C 31.469 0.400 1 620 56 56 ARG CD C 43.956 0.400 1 621 56 56 ARG CG C 27.786 0.400 1 622 56 56 ARG N N 115.635 0.400 1 623 56 56 ARG NE N 84.325 0.400 1 624 57 57 LYS H H 7.949 0.020 1 625 57 57 LYS HA H 4.093 0.020 1 626 57 57 LYS HB2 H 2.139 0.020 2 627 57 57 LYS HB3 H 1.935 0.020 2 628 57 57 LYS HD2 H 1.729 0.020 2 629 57 57 LYS HD3 H 1.671 0.020 2 630 57 57 LYS HE2 H 3.022 0.020 2 631 57 57 LYS HE3 H 3.022 0.020 2 632 57 57 LYS HG2 H 1.362 0.020 2 633 57 57 LYS HG3 H 1.363 0.020 2 634 57 57 LYS C C 175.087 0.400 1 635 57 57 LYS CA C 57.512 0.400 1 636 57 57 LYS CB C 28.529 0.400 1 637 57 57 LYS CD C 29.120 0.400 1 638 57 57 LYS CE C 42.282 0.400 1 639 57 57 LYS CG C 25.109 0.400 1 640 57 57 LYS N N 113.671 0.400 1 641 58 58 ILE H H 8.429 0.020 1 642 58 58 ILE HA H 4.081 0.020 1 643 58 58 ILE HB H 1.770 0.020 1 644 58 58 ILE HD1 H 0.829 0.020 1 645 58 58 ILE HG12 H 1.544 0.020 2 646 58 58 ILE HG13 H 1.180 0.020 2 647 58 58 ILE HG2 H 0.947 0.020 1 648 58 58 ILE C C 177.459 0.400 1 649 58 58 ILE CA C 62.813 0.400 1 650 58 58 ILE CB C 39.434 0.400 1 651 58 58 ILE CD1 C 13.106 0.400 1 652 58 58 ILE CG1 C 28.361 0.400 1 653 58 58 ILE CG2 C 17.189 0.400 1 654 58 58 ILE N N 116.683 0.400 1 655 59 59 VAL H H 6.901 0.020 1 656 59 59 VAL HA H 5.661 0.020 1 657 59 59 VAL HB H 2.218 0.020 1 658 59 59 VAL HG1 H 0.790 0.020 2 659 59 59 VAL HG2 H 0.664 0.020 2 660 59 59 VAL C C 175.037 0.400 1 661 59 59 VAL CA C 57.148 0.400 1 662 59 59 VAL CB C 35.530 0.400 1 663 59 59 VAL CG1 C 21.300 0.400 1 664 59 59 VAL CG2 C 18.700 0.400 1 665 59 59 VAL N N 106.671 0.400 1 666 60 60 THR H H 8.946 0.020 1 667 60 60 THR HA H 4.289 0.020 1 668 60 60 THR HB H 3.917 0.020 1 669 60 60 THR HG2 H 1.118 0.020 1 670 60 60 THR C C 169.545 0.400 1 671 60 60 THR CA C 61.465 0.400 1 672 60 60 THR CB C 69.906 0.400 1 673 60 60 THR CG2 C 19.600 0.400 1 674 60 60 THR N N 112.958 0.400 1 675 61 61 TYR H H 6.939 0.020 1 676 61 61 TYR HA H 5.051 0.020 1 677 61 61 TYR HB2 H 3.464 0.020 2 678 61 61 TYR HB3 H 2.770 0.020 2 679 61 61 TYR HD1 H 6.639 0.020 1 680 61 61 TYR HD2 H 6.640 0.020 1 681 61 61 TYR HE1 H 6.423 0.020 1 682 61 61 TYR HE2 H 6.423 0.020 1 683 61 61 TYR CA C 55.168 0.400 1 684 61 61 TYR CB C 37.160 0.400 1 685 61 61 TYR CD1 C 133.855 0.400 1 686 61 61 TYR CD2 C 133.906 0.400 1 687 61 61 TYR CE1 C 118.359 0.400 1 688 61 61 TYR CE2 C 118.401 0.400 1 689 61 61 TYR N N 118.981 0.400 1 690 62 62 PRO HA H 4.574 0.020 1 691 62 62 PRO HB2 H 2.269 0.020 2 692 62 62 PRO HB3 H 1.999 0.020 2 693 62 62 PRO HD2 H 3.986 0.020 2 694 62 62 PRO HD3 H 3.786 0.020 2 695 62 62 PRO HG2 H 2.212 0.020 2 696 62 62 PRO HG3 H 2.136 0.020 2 697 62 62 PRO C C 177.198 0.400 1 698 62 62 PRO CA C 62.599 0.400 1 699 62 62 PRO CB C 31.914 0.400 1 700 62 62 PRO CD C 50.516 0.400 1 701 62 62 PRO CG C 27.514 0.400 1 702 63 63 GLY H H 8.200 0.020 1 703 63 63 GLY HA2 H 3.721 0.020 2 704 63 63 GLY HA3 H 4.054 0.020 2 705 63 63 GLY C C 172.777 0.400 1 706 63 63 GLY CA C 45.222 0.400 1 707 63 63 GLY N N 108.363 0.400 1 708 64 64 GLU H H 8.122 0.020 1 709 64 64 GLU HA H 4.573 0.020 1 710 64 64 GLU HB2 H 2.022 0.020 2 711 64 64 GLU HB3 H 1.841 0.020 2 712 64 64 GLU HG2 H 2.238 0.020 2 713 64 64 GLU HG3 H 2.204 0.020 2 714 64 64 GLU C C 176.463 0.400 1 715 64 64 GLU CA C 56.092 0.400 1 716 64 64 GLU CB C 31.261 0.400 1 717 64 64 GLU CG C 35.710 0.400 1 718 64 64 GLU N N 116.151 0.400 1 719 65 65 LEU H H 8.010 0.020 1 720 65 65 LEU HA H 4.182 0.020 1 721 65 65 LEU HB2 H 1.445 0.020 2 722 65 65 LEU HB3 H 1.276 0.020 2 723 65 65 LEU HD1 H 0.564 0.020 2 724 65 65 LEU HD2 H 0.573 0.020 2 725 65 65 LEU HG H 1.310 0.020 1 726 65 65 LEU C C 174.868 0.400 1 727 65 65 LEU CA C 54.592 0.400 1 728 65 65 LEU CB C 42.962 0.400 1 729 65 65 LEU CD1 C 23.860 0.400 1 730 65 65 LEU CD2 C 24.548 0.400 1 731 65 65 LEU CG C 26.621 0.400 1 732 65 65 LEU N N 122.074 0.400 1 733 66 66 LEU H H 7.392 0.020 1 734 66 66 LEU HA H 4.312 0.020 1 735 66 66 LEU HB2 H 1.077 0.020 2 736 66 66 LEU HB3 H 1.088 0.020 2 737 66 66 LEU HD1 H 0.351 0.020 2 738 66 66 LEU HD2 H 0.150 0.020 2 739 66 66 LEU HG H 1.001 0.020 1 740 66 66 LEU CA C 53.622 0.400 1 741 66 66 LEU CB C 42.634 0.400 1 742 66 66 LEU CD1 C 22.293 0.400 1 743 66 66 LEU CD2 C 25.472 0.400 1 744 66 66 LEU CG C 26.265 0.400 1 745 66 66 LEU N N 122.429 0.400 1 746 67 67 LEU HA H 4.469 0.020 1 747 67 67 LEU HB2 H 1.493 0.020 2 748 67 67 LEU HB3 H 1.618 0.020 2 749 67 67 LEU HD1 H 0.903 0.020 2 750 67 67 LEU HD2 H 0.875 0.020 2 751 67 67 LEU C C 177.273 0.400 1 752 67 67 LEU CA C 54.129 0.400 1 753 67 67 LEU CB C 43.374 0.400 1 754 67 67 LEU CD1 C 25.199 0.400 1 755 67 67 LEU CD2 C 23.374 0.400 1 756 67 67 LEU CG C 26.657 0.400 1 757 68 68 GLN H H 8.528 0.020 1 758 68 68 GLN HA H 3.959 0.020 1 759 68 68 GLN HB2 H 1.744 0.020 2 760 68 68 GLN HB3 H 1.740 0.020 2 761 68 68 GLN HE21 H 7.231 0.020 2 762 68 68 GLN HE22 H 6.731 0.020 2 763 68 68 GLN HG2 H 1.952 0.020 2 764 68 68 GLN HG3 H 1.956 0.020 2 765 68 68 GLN CA C 57.060 0.400 1 766 68 68 GLN CB C 28.060 0.400 1 767 68 68 GLN CG C 33.213 0.400 1 768 68 68 GLN N N 122.419 0.400 1 769 68 68 GLN NE2 N 110.933 0.400 1 770 69 69 GLY H H 9.050 0.020 1 771 69 69 GLY HA2 H 3.633 0.020 2 772 69 69 GLY HA3 H 4.195 0.020 2 773 69 69 GLY C C 174.217 0.400 1 774 69 69 GLY CA C 45.493 0.400 1 775 70 70 VAL H H 7.710 0.020 1 776 70 70 VAL HA H 3.841 0.020 1 777 70 70 VAL HB H 1.671 0.020 1 778 70 70 VAL HG1 H 0.762 0.020 2 779 70 70 VAL HG2 H 0.524 0.020 2 780 70 70 VAL C C 177.224 0.400 1 781 70 70 VAL CA C 63.666 0.400 1 782 70 70 VAL CB C 32.803 0.400 1 783 70 70 VAL CG1 C 20.768 0.400 1 784 70 70 VAL CG2 C 20.289 0.400 1 785 70 70 VAL N N 120.536 0.400 1 786 71 71 HIS H H 8.403 0.020 1 787 71 71 HIS HA H 4.931 0.020 1 788 71 71 HIS HB2 H 3.384 0.020 2 789 71 71 HIS HB3 H 2.840 0.020 2 790 71 71 HIS HD2 H 7.050 0.020 1 791 71 71 HIS C C 175.324 0.400 1 792 71 71 HIS CA C 56.086 0.400 1 793 71 71 HIS CB C 30.412 0.400 1 794 71 71 HIS CD2 C 117.977 0.400 1 795 71 71 HIS N N 118.286 0.400 1 796 72 72 ASP H H 7.900 0.020 1 797 72 72 ASP HA H 4.371 0.020 1 798 72 72 ASP HB2 H 2.692 0.020 2 799 72 72 ASP HB3 H 2.692 0.020 2 800 72 72 ASP C C 177.003 0.400 1 801 72 72 ASP CA C 57.350 0.400 1 802 72 72 ASP CB C 40.471 0.400 1 803 72 72 ASP N N 119.814 0.400 1 804 73 73 ASP H H 8.660 0.020 1 805 73 73 ASP HA H 4.879 0.020 1 806 73 73 ASP HB2 H 2.654 0.020 2 807 73 73 ASP HB3 H 2.817 0.020 2 808 73 73 ASP C C 175.754 0.400 1 809 73 73 ASP CA C 53.919 0.400 1 810 73 73 ASP CB C 40.972 0.400 1 811 73 73 ASP N N 116.522 0.400 1 812 74 74 VAL H H 7.741 0.020 1 813 74 74 VAL HA H 3.942 0.020 1 814 74 74 VAL HB H 2.194 0.020 1 815 74 74 VAL HG1 H 1.087 0.020 2 816 74 74 VAL HG2 H 0.992 0.020 2 817 74 74 VAL C C 174.917 0.400 1 818 74 74 VAL CA C 63.347 0.400 1 819 74 74 VAL CB C 32.650 0.400 1 820 74 74 VAL CG1 C 22.622 0.400 1 821 74 74 VAL CG2 C 21.930 0.400 1 822 74 74 VAL N N 121.297 0.400 1 823 75 75 ASP H H 8.319 0.020 1 824 75 75 ASP HA H 4.780 0.020 1 825 75 75 ASP HB2 H 2.390 0.020 2 826 75 75 ASP HB3 H 2.608 0.020 2 827 75 75 ASP C C 174.350 0.400 1 828 75 75 ASP CA C 54.809 0.400 1 829 75 75 ASP CB C 42.020 0.400 1 830 75 75 ASP N N 125.805 0.400 1 831 76 76 ILE H H 9.192 0.020 1 832 76 76 ILE HA H 4.562 0.020 1 833 76 76 ILE HB H 2.204 0.020 1 834 76 76 ILE HD1 H 0.756 0.020 1 835 76 76 ILE HG12 H 1.482 0.020 2 836 76 76 ILE HG13 H 1.271 0.020 2 837 76 76 ILE HG2 H 0.782 0.020 1 838 76 76 ILE C C 174.870 0.400 1 839 76 76 ILE CA C 60.171 0.400 1 840 76 76 ILE CB C 37.293 0.400 1 841 76 76 ILE CD1 C 13.897 0.400 1 842 76 76 ILE CG1 C 27.343 0.400 1 843 76 76 ILE CG2 C 17.987 0.400 1 844 76 76 ILE N N 124.395 0.400 1 845 77 77 ILE H H 8.541 0.020 1 846 77 77 ILE HA H 4.533 0.020 1 847 77 77 ILE HB H 1.645 0.020 1 848 77 77 ILE HD1 H 0.800 0.020 1 849 77 77 ILE HG12 H 1.514 0.020 2 850 77 77 ILE HG13 H 0.968 0.020 2 851 77 77 ILE HG2 H 0.734 0.020 1 852 77 77 ILE C C 175.902 0.400 1 853 77 77 ILE CA C 60.191 0.400 1 854 77 77 ILE CB C 40.261 0.400 1 855 77 77 ILE CD1 C 13.635 0.400 1 856 77 77 ILE CG1 C 28.085 0.400 1 857 77 77 ILE CG2 C 17.964 0.400 1 858 77 77 ILE N N 126.286 0.400 1 859 78 78 LEU H H 8.831 0.020 1 860 78 78 LEU HA H 4.551 0.020 1 861 78 78 LEU HB2 H 2.166 0.020 2 862 78 78 LEU HB3 H 1.155 0.020 2 863 78 78 LEU HD1 H 1.059 0.020 2 864 78 78 LEU HD2 H 0.849 0.020 2 865 78 78 LEU HG H 1.467 0.020 1 866 78 78 LEU C C 175.200 0.400 1 867 78 78 LEU CA C 54.597 0.400 1 868 78 78 LEU CB C 43.263 0.400 1 869 78 78 LEU CD1 C 24.845 0.400 1 870 78 78 LEU CD2 C 26.767 0.400 1 871 78 78 LEU CG C 27.448 0.400 1 872 78 78 LEU N N 127.736 0.400 1 873 79 79 LEU H H 8.611 0.020 1 874 79 79 LEU HA H 4.325 0.020 1 875 79 79 LEU HB2 H 1.407 0.020 2 876 79 79 LEU HB3 H 1.652 0.020 2 877 79 79 LEU HD1 H 0.624 0.020 2 878 79 79 LEU HD2 H 0.747 0.020 2 879 79 79 LEU HG H 1.370 0.020 1 880 79 79 LEU C C 177.678 0.400 1 881 79 79 LEU CA C 55.793 0.400 1 882 79 79 LEU CB C 42.384 0.400 1 883 79 79 LEU CD1 C 25.232 0.400 1 884 79 79 LEU CD2 C 22.308 0.400 1 885 79 79 LEU CG C 26.701 0.400 1 886 79 79 LEU N N 127.218 0.400 1 887 80 80 GLN H H 7.509 0.020 1 888 80 80 GLN HA H 4.536 0.020 1 889 80 80 GLN HB2 H 2.129 0.020 2 890 80 80 GLN HB3 H 1.957 0.020 2 891 80 80 GLN HE21 H 7.333 0.020 2 892 80 80 GLN HE22 H 6.831 0.020 2 893 80 80 GLN HG2 H 2.338 0.020 2 894 80 80 GLN HG3 H 2.328 0.020 2 895 80 80 GLN C C 173.420 0.400 1 896 80 80 GLN CA C 55.022 0.400 1 897 80 80 GLN CB C 31.359 0.400 1 898 80 80 GLN CG C 33.646 0.400 1 899 80 80 GLN N N 117.434 0.400 1 900 80 80 GLN NE2 N 111.098 0.400 1 901 81 81 ASP H H 8.411 0.020 1 902 81 81 ASP HA H 4.753 0.020 1 903 81 81 ASP HB2 H 2.590 0.020 2 904 81 81 ASP HB3 H 2.825 0.020 2 905 81 81 ASP C C 176.304 0.400 1 906 81 81 ASP CA C 53.186 0.400 1 907 81 81 ASP CB C 41.336 0.400 1 908 81 81 ASP N N 121.921 0.400 1 909 82 82 LEU H H 8.183 0.020 1 910 82 82 LEU HA H 4.284 0.020 1 911 82 82 LEU HB2 H 1.596 0.020 2 912 82 82 LEU HB3 H 1.597 0.020 2 913 82 82 LEU HD1 H 0.840 0.020 2 914 82 82 LEU HD2 H 0.897 0.020 2 915 82 82 LEU HG H 1.623 0.020 1 916 82 82 LEU C C 177.174 0.400 1 917 82 82 LEU CA C 55.256 0.400 1 918 82 82 LEU CB C 42.314 0.400 1 919 82 82 LEU CD1 C 23.221 0.400 1 920 82 82 LEU CD2 C 25.174 0.400 1 921 82 82 LEU CG C 27.031 0.400 1 922 82 82 LEU N N 122.190 0.400 1 923 83 83 GLU H H 8.214 0.020 1 924 83 83 GLU HA H 4.157 0.020 1 925 83 83 GLU HB2 H 1.865 0.020 2 926 83 83 GLU HB3 H 1.854 0.020 2 927 83 83 GLU HG2 H 2.175 0.020 2 928 83 83 GLU HG3 H 2.149 0.020 2 929 83 83 GLU C C 176.222 0.400 1 930 83 83 GLU CA C 56.499 0.400 1 931 83 83 GLU CB C 30.039 0.400 1 932 83 83 GLU CG C 35.595 0.400 1 933 83 83 GLU N N 120.088 0.400 1 934 84 84 HIS H H 8.370 0.020 1 935 84 84 HIS HA H 4.606 0.020 1 936 84 84 HIS HB2 H 3.059 0.020 2 937 84 84 HIS HB3 H 3.153 0.020 2 938 84 84 HIS CA C 55.310 0.400 1 939 84 84 HIS CB C 28.932 0.400 1 940 84 84 HIS N N 118.992 0.400 1 941 85 85 HIS H H 8.469 0.020 1 942 85 85 HIS N N 119.009 0.400 1 stop_ save_