data_19757 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments of the two TPR domains of the human RPAP3 protein ; _BMRB_accession_number 19757 _BMRB_flat_file_name bmr19757.str _Entry_type original _Submission_date 2014-01-30 _Accession_date 2014-01-30 _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 Chagot Marie-Eve . . 2 Jacquemin 'Cl mence' . . 3 Charpentier Bruno . . 4 Manival Xavier . . 5 Quinternet Marc . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 715 "13C chemical shifts" 501 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-08-13 original BMRB . stop_ _Original_release_date 2014-01-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; (1)H, (15)N and (13)C resonance assignments of the two TPR domains from the human RPAP3 protein. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24668569 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chagot Marie-Eve . . 2 Jacquemin Clemence . . 3 Branlant Christiane . . 4 Charpentier Bruno . . 5 Manival Xavier . . 6 Quinternet Marc . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 9 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 99 _Page_last 102 _Year 2014 _Details . loop_ _Keyword HSP90 r2tp snoRNP stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RPAP3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TPR2 $rpap3(281-396) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_rpap3(281-396) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rpap3(281-396) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; GPHMQAISEKDRGNGFFKEG KYERAIECYTRGIAADGANA LLPANRAMAYLKIQKYEEAE KDCTQAILLDGSYSKAFARR GTARTFLGKLNEAKQDFETV LLLEPGNKQAVTELSKIKKK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 HIS 4 4 MET 5 5 GLN 6 6 ALA 7 7 ILE 8 8 SER 9 9 GLU 10 10 LYS 11 11 ASP 12 12 ARG 13 13 GLY 14 14 ASN 15 15 GLY 16 16 PHE 17 17 PHE 18 18 LYS 19 19 GLU 20 20 GLY 21 21 LYS 22 22 TYR 23 23 GLU 24 24 ARG 25 25 ALA 26 26 ILE 27 27 GLU 28 28 CYS 29 29 TYR 30 30 THR 31 31 ARG 32 32 GLY 33 33 ILE 34 34 ALA 35 35 ALA 36 36 ASP 37 37 GLY 38 38 ALA 39 39 ASN 40 40 ALA 41 41 LEU 42 42 LEU 43 43 PRO 44 44 ALA 45 45 ASN 46 46 ARG 47 47 ALA 48 48 MET 49 49 ALA 50 50 TYR 51 51 LEU 52 52 LYS 53 53 ILE 54 54 GLN 55 55 LYS 56 56 TYR 57 57 GLU 58 58 GLU 59 59 ALA 60 60 GLU 61 61 LYS 62 62 ASP 63 63 CYS 64 64 THR 65 65 GLN 66 66 ALA 67 67 ILE 68 68 LEU 69 69 LEU 70 70 ASP 71 71 GLY 72 72 SER 73 73 TYR 74 74 SER 75 75 LYS 76 76 ALA 77 77 PHE 78 78 ALA 79 79 ARG 80 80 ARG 81 81 GLY 82 82 THR 83 83 ALA 84 84 ARG 85 85 THR 86 86 PHE 87 87 LEU 88 88 GLY 89 89 LYS 90 90 LEU 91 91 ASN 92 92 GLU 93 93 ALA 94 94 LYS 95 95 GLN 96 96 ASP 97 97 PHE 98 98 GLU 99 99 THR 100 100 VAL 101 101 LEU 102 102 LEU 103 103 LEU 104 104 GLU 105 105 PRO 106 106 GLY 107 107 ASN 108 108 LYS 109 109 GLN 110 110 ALA 111 111 VAL 112 112 THR 113 113 GLU 114 114 LEU 115 115 SER 116 116 LYS 117 117 ILE 118 118 LYS 119 119 LYS 120 120 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rpap3(281-396) Human 9606 Eukaryota Metazoa Homo sapiens 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 $rpap3(281-396) 'recombinant technology' . Escherichia coli . pnEA-3CH 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 $rpap3(281-396) 1.0 mM '[U-99% 13C; U-99% 15N]' 'sodium chloride' 150 mM 'natural abundance' DTT 10 mM '[U-99% 2H]' H2O 95 % 'natural abundance' D2O 5 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.4 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D HNHA' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '2D 1H-13C HSQC aromatic' '2D 1H-13C HSQC' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name TPR2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 PRO HA H 4.467 0.020 1 2 2 2 PRO HB2 H 1.907 0.020 1 3 2 2 PRO HB3 H 2.346 0.020 1 4 2 2 PRO HG2 H 1.988 0.020 1 5 2 2 PRO HG3 H 2.032 0.020 1 6 2 2 PRO HD2 H 3.593 0.020 1 7 2 2 PRO HD3 H 3.635 0.020 1 8 2 2 PRO C C 176.827 0.300 1 9 2 2 PRO CA C 63.432 0.300 1 10 2 2 PRO CB C 32.322 0.300 1 11 2 2 PRO CG C 26.990 0.300 1 12 2 2 PRO CD C 49.736 0.300 1 13 3 3 HIS H H 8.606 0.020 1 14 3 3 HIS HA H 4.617 0.020 1 15 3 3 HIS HB2 H 3.204 0.020 2 16 3 3 HIS HB3 H 3.204 0.020 2 17 3 3 HIS HD2 H 7.161 0.020 1 18 3 3 HIS HE1 H 8.139 0.020 1 19 3 3 HIS C C 175.738 0.300 1 20 3 3 HIS CA C 56.617 0.300 1 21 3 3 HIS CB C 29.901 0.300 1 22 3 3 HIS CD2 C 119.935 0.300 1 23 3 3 HIS CE1 C 137.863 0.300 1 24 3 3 HIS N N 119.698 0.300 1 25 4 4 MET H H 8.376 0.020 1 26 4 4 MET HA H 4.442 0.020 1 27 4 4 MET HB2 H 2.544 0.020 1 28 4 4 MET HB3 H 2.615 0.020 1 29 4 4 MET HG2 H 2.041 0.020 1 30 4 4 MET HG3 H 2.100 0.020 1 31 4 4 MET C C 176.734 0.300 1 32 4 4 MET CA C 55.990 0.300 1 33 4 4 MET CB C 31.891 0.300 1 34 4 4 MET CG C 32.430 0.300 1 35 4 4 MET N N 121.892 0.300 1 36 5 5 GLN H H 8.553 0.020 1 37 5 5 GLN HA H 4.258 0.020 1 38 5 5 GLN HB2 H 2.078 0.020 2 39 5 5 GLN HB3 H 2.078 0.020 2 40 5 5 GLN HG2 H 2.407 0.020 2 41 5 5 GLN HG3 H 2.407 0.020 2 42 5 5 GLN HE21 H 6.941 0.020 1 43 5 5 GLN HE22 H 7.655 0.020 1 44 5 5 GLN C C 176.312 0.300 1 45 5 5 GLN CA C 56.666 0.300 1 46 5 5 GLN CB C 29.228 0.300 1 47 5 5 GLN CG C 33.692 0.300 1 48 5 5 GLN N N 122.110 0.300 1 49 5 5 GLN NE2 N 112.516 0.300 1 50 6 6 ALA H H 8.428 0.020 1 51 6 6 ALA HA H 4.251 0.020 1 52 6 6 ALA HB H 1.478 0.020 1 53 6 6 ALA C C 178.037 0.300 1 54 6 6 ALA CA C 53.485 0.300 1 55 6 6 ALA CB C 19.469 0.300 1 56 6 6 ALA N N 124.660 0.300 1 57 7 7 ILE H H 7.992 0.020 1 58 7 7 ILE HA H 4.084 0.020 1 59 7 7 ILE HB H 1.910 0.020 1 60 7 7 ILE HG12 H 1.240 0.020 1 61 7 7 ILE HG13 H 1.556 0.020 1 62 7 7 ILE HG2 H 0.941 0.020 1 63 7 7 ILE HD1 H 0.812 0.020 1 64 7 7 ILE C C 176.534 0.300 1 65 7 7 ILE CA C 61.793 0.300 1 66 7 7 ILE CB C 38.520 0.300 1 67 7 7 ILE CG1 C 27.606 0.300 1 68 7 7 ILE CG2 C 17.446 0.300 1 69 7 7 ILE CD1 C 12.530 0.300 1 70 7 7 ILE N N 119.808 0.300 1 71 8 8 SER H H 8.708 0.020 1 72 8 8 SER HA H 4.499 0.020 1 73 8 8 SER HB2 H 4.084 0.020 1 74 8 8 SER HB3 H 4.249 0.020 1 75 8 8 SER C C 176.240 0.300 1 76 8 8 SER CA C 58.850 0.300 1 77 8 8 SER CB C 64.222 0.300 1 78 8 8 SER N N 120.061 0.300 1 79 9 9 GLU H H 8.717 0.020 1 80 9 9 GLU HA H 4.481 0.020 1 81 9 9 GLU HB2 H 1.661 0.020 1 82 9 9 GLU HB3 H 2.545 0.020 1 83 9 9 GLU HG2 H 2.134 0.020 1 84 9 9 GLU HG3 H 2.502 0.020 1 85 9 9 GLU C C 179.835 0.300 1 86 9 9 GLU CA C 58.865 0.300 1 87 9 9 GLU CB C 28.293 0.300 1 88 9 9 GLU CG C 34.952 0.300 1 89 9 9 GLU N N 121.995 0.300 1 90 10 10 LYS H H 8.465 0.020 1 91 10 10 LYS HA H 3.910 0.020 1 92 10 10 LYS HB2 H 1.966 0.020 2 93 10 10 LYS HB3 H 1.966 0.020 2 94 10 10 LYS HG2 H 1.443 0.020 2 95 10 10 LYS HG3 H 1.443 0.020 2 96 10 10 LYS HD2 H 1.591 0.020 1 97 10 10 LYS HD3 H 1.738 0.020 1 98 10 10 LYS HE2 H 2.948 0.020 2 99 10 10 LYS HE3 H 2.948 0.020 2 100 10 10 LYS C C 177.522 0.300 1 101 10 10 LYS CA C 60.329 0.300 1 102 10 10 LYS CB C 30.577 0.300 1 103 10 10 LYS CG C 23.517 0.300 1 104 10 10 LYS CD C 28.722 0.300 1 105 10 10 LYS CE C 41.315 0.300 1 106 10 10 LYS N N 119.739 0.300 1 107 11 11 ASP H H 8.097 0.020 1 108 11 11 ASP HA H 4.484 0.020 1 109 11 11 ASP HB2 H 2.667 0.020 1 110 11 11 ASP HB3 H 2.810 0.020 1 111 11 11 ASP C C 179.949 0.300 1 112 11 11 ASP CA C 57.681 0.300 1 113 11 11 ASP CB C 40.075 0.300 1 114 11 11 ASP N N 119.793 0.300 1 115 12 12 ARG H H 8.697 0.020 1 116 12 12 ARG HA H 3.888 0.020 1 117 12 12 ARG HB2 H 1.916 0.020 2 118 12 12 ARG HB3 H 1.916 0.020 2 119 12 12 ARG HG2 H 1.655 0.020 2 120 12 12 ARG HG3 H 1.655 0.020 2 121 12 12 ARG HD2 H 3.224 0.020 2 122 12 12 ARG HD3 H 3.224 0.020 2 123 12 12 ARG C C 179.734 0.300 1 124 12 12 ARG CA C 59.445 0.300 1 125 12 12 ARG CB C 30.629 0.300 1 126 12 12 ARG CG C 28.023 0.300 1 127 12 12 ARG CD C 43.536 0.300 1 128 12 12 ARG N N 123.494 0.300 1 129 13 13 GLY H H 9.062 0.020 1 130 13 13 GLY HA2 H 3.192 0.020 1 131 13 13 GLY HA3 H 3.652 0.020 1 132 13 13 GLY C C 174.779 0.300 1 133 13 13 GLY CA C 47.918 0.300 1 134 13 13 GLY N N 108.729 0.300 1 135 14 14 ASN H H 8.837 0.020 1 136 14 14 ASN HA H 4.592 0.020 1 137 14 14 ASN HB2 H 3.007 0.020 1 138 14 14 ASN HB3 H 3.220 0.020 1 139 14 14 ASN HD21 H 8.111 0.020 1 140 14 14 ASN HD22 H 6.808 0.020 1 141 14 14 ASN C C 178.459 0.300 1 142 14 14 ASN CA C 55.578 0.300 1 143 14 14 ASN CB C 37.057 0.300 1 144 14 14 ASN N N 121.189 0.300 1 145 14 14 ASN ND2 N 111.232 0.300 1 146 15 15 GLY H H 8.169 0.020 1 147 15 15 GLY HA2 H 3.845 0.020 2 148 15 15 GLY HA3 H 3.845 0.020 2 149 15 15 GLY C C 176.519 0.300 1 150 15 15 GLY CA C 47.338 0.300 1 151 15 15 GLY N N 109.504 0.300 1 152 16 16 PHE H H 7.903 0.020 1 153 16 16 PHE HA H 4.558 0.020 1 154 16 16 PHE HB2 H 2.725 0.020 1 155 16 16 PHE HB3 H 3.572 0.020 1 156 16 16 PHE HD1 H 7.199 0.020 1 157 16 16 PHE HD2 H 7.199 0.020 1 158 16 16 PHE C C 178.574 0.300 1 159 16 16 PHE CA C 60.750 0.300 1 160 16 16 PHE CB C 37.946 0.300 1 161 16 16 PHE N N 120.949 0.300 1 162 17 17 PHE H H 9.219 0.020 1 163 17 17 PHE HA H 3.701 0.020 1 164 17 17 PHE HB2 H 3.231 0.020 1 165 17 17 PHE HB3 H 3.622 0.020 1 166 17 17 PHE HD1 H 7.235 0.020 1 167 17 17 PHE HD2 H 7.235 0.020 1 168 17 17 PHE C C 178.976 0.300 1 169 17 17 PHE CA C 62.828 0.300 1 170 17 17 PHE CB C 39.855 0.300 1 171 17 17 PHE CD1 C 131.749 0.300 1 172 17 17 PHE N N 122.058 0.300 1 173 18 18 LYS H H 8.387 0.020 1 174 18 18 LYS HA H 4.077 0.020 1 175 18 18 LYS HB2 H 2.108 0.020 2 176 18 18 LYS HB3 H 2.108 0.020 2 177 18 18 LYS HG2 H 1.652 0.020 1 178 18 18 LYS HG3 H 1.790 0.020 1 179 18 18 LYS HD2 H 1.790 0.020 2 180 18 18 LYS HD3 H 1.790 0.020 2 181 18 18 LYS HE2 H 3.049 0.020 2 182 18 18 LYS HE3 H 3.049 0.020 2 183 18 18 LYS C C 177.661 0.300 1 184 18 18 LYS CA C 59.469 0.300 1 185 18 18 LYS CB C 32.394 0.300 1 186 18 18 LYS CG C 25.269 0.300 1 187 18 18 LYS CD C 29.424 0.300 1 188 18 18 LYS CE C 42.102 0.300 1 189 18 18 LYS N N 121.117 0.300 1 190 19 19 GLU H H 7.278 0.020 1 191 19 19 GLU HA H 4.384 0.020 1 192 19 19 GLU HB2 H 2.179 0.020 2 193 19 19 GLU HB3 H 2.179 0.020 2 194 19 19 GLU HG2 H 2.414 0.020 2 195 19 19 GLU HG3 H 2.414 0.020 2 196 19 19 GLU C C 176.276 0.300 1 197 19 19 GLU CA C 56.110 0.300 1 198 19 19 GLU CB C 30.725 0.300 1 199 19 19 GLU CG C 36.452 0.300 1 200 19 19 GLU N N 115.034 0.300 1 201 20 20 GLY H H 7.677 0.020 1 202 20 20 GLY HA2 H 2.774 0.020 1 203 20 20 GLY HA3 H 3.818 0.020 1 204 20 20 GLY C C 173.827 0.300 1 205 20 20 GLY CA C 44.583 0.300 1 206 20 20 GLY N N 107.871 0.300 1 207 21 21 LYS H H 7.807 0.020 1 208 21 21 LYS HA H 4.418 0.020 1 209 21 21 LYS HB2 H 1.685 0.020 2 210 21 21 LYS HB3 H 1.685 0.020 2 211 21 21 LYS HG2 H 1.257 0.020 2 212 21 21 LYS HG3 H 1.257 0.020 2 213 21 21 LYS HD2 H 1.693 0.020 2 214 21 21 LYS HD3 H 1.693 0.020 2 215 21 21 LYS HE2 H 2.984 0.020 2 216 21 21 LYS HE3 H 2.984 0.020 2 217 21 21 LYS C C 177.135 0.300 1 218 21 21 LYS CA C 53.766 0.300 1 219 21 21 LYS CB C 30.629 0.300 1 220 21 21 LYS CG C 24.831 0.300 1 221 21 21 LYS CD C 29.419 0.300 1 222 21 21 LYS CE C 42.446 0.300 1 223 21 21 LYS N N 121.821 0.300 1 224 22 22 TYR H H 6.825 0.020 1 225 22 22 TYR HA H 3.964 0.020 1 226 22 22 TYR HB2 H 2.708 0.020 1 227 22 22 TYR HB3 H 3.075 0.020 1 228 22 22 TYR HD1 H 6.933 0.020 1 229 22 22 TYR HD2 H 6.933 0.020 1 230 22 22 TYR HE1 H 6.311 0.020 1 231 22 22 TYR HE2 H 6.311 0.020 1 232 22 22 TYR C C 177.629 0.300 1 233 22 22 TYR CA C 62.287 0.300 1 234 22 22 TYR CB C 37.793 0.300 1 235 22 22 TYR CD1 C 132.218 0.300 1 236 22 22 TYR CE1 C 119.393 0.300 1 237 22 22 TYR N N 119.257 0.300 1 238 23 23 GLU H H 9.121 0.020 1 239 23 23 GLU HA H 3.990 0.020 1 240 23 23 GLU HB2 H 1.989 0.020 1 241 23 23 GLU HB3 H 2.084 0.020 1 242 23 23 GLU HG2 H 2.296 0.020 1 243 23 23 GLU HG3 H 2.346 0.020 1 244 23 23 GLU C C 179.820 0.300 1 245 23 23 GLU CA C 60.822 0.300 1 246 23 23 GLU CB C 28.138 0.300 1 247 23 23 GLU CG C 37.161 0.300 1 248 23 23 GLU N N 118.582 0.300 1 249 24 24 ARG H H 7.613 0.020 1 250 24 24 ARG HA H 3.844 0.020 1 251 24 24 ARG HB2 H 0.368 0.020 1 252 24 24 ARG HB3 H 1.056 0.020 1 253 24 24 ARG HG2 H 1.198 0.020 2 254 24 24 ARG HG3 H 1.198 0.020 2 255 24 24 ARG HD2 H 2.627 0.020 1 256 24 24 ARG HD3 H 2.825 0.020 1 257 24 24 ARG C C 179.255 0.300 1 258 24 24 ARG CA C 57.930 0.300 1 259 24 24 ARG CB C 28.138 0.300 1 260 24 24 ARG CG C 25.981 0.300 1 261 24 24 ARG CD C 42.245 0.300 1 262 24 24 ARG N N 119.412 0.300 1 263 25 25 ALA H H 8.068 0.020 1 264 25 25 ALA HA H 3.898 0.020 1 265 25 25 ALA HB H 1.619 0.020 1 266 25 25 ALA C C 177.980 0.300 1 267 25 25 ALA CA C 55.926 0.300 1 268 25 25 ALA CB C 17.445 0.300 1 269 25 25 ALA N N 121.634 0.300 1 270 26 26 ILE H H 8.419 0.020 1 271 26 26 ILE HA H 3.357 0.020 1 272 26 26 ILE HB H 1.864 0.020 1 273 26 26 ILE HG12 H 0.351 0.020 1 274 26 26 ILE HG13 H 1.741 0.020 1 275 26 26 ILE HG2 H 0.734 0.020 1 276 26 26 ILE HD1 H 0.518 0.020 1 277 26 26 ILE C C 178.954 0.300 1 278 26 26 ILE CA C 66.996 0.300 1 279 26 26 ILE CB C 38.052 0.300 1 280 26 26 ILE CG1 C 32.016 0.300 1 281 26 26 ILE CG2 C 17.608 0.300 1 282 26 26 ILE CD1 C 14.456 0.300 1 283 26 26 ILE N N 117.682 0.300 1 284 27 27 GLU H H 7.825 0.020 1 285 27 27 GLU HA H 4.055 0.020 1 286 27 27 GLU HB2 H 2.099 0.020 1 287 27 27 GLU HB3 H 2.261 0.020 1 288 27 27 GLU HG2 H 2.252 0.020 1 289 27 27 GLU HG3 H 2.445 0.020 1 290 27 27 GLU C C 179.283 0.300 1 291 27 27 GLU CA C 59.880 0.300 1 292 27 27 GLU CB C 29.487 0.300 1 293 27 27 GLU CG C 35.823 0.300 1 294 27 27 GLU N N 122.967 0.300 1 295 28 28 CYS H H 7.600 0.020 1 296 28 28 CYS HA H 4.228 0.020 1 297 28 28 CYS HB2 H 2.710 0.020 1 298 28 28 CYS HB3 H 3.356 0.020 1 299 28 28 CYS C C 177.744 0.300 1 300 28 28 CYS CA C 63.142 0.300 1 301 28 28 CYS CB C 26.609 0.300 1 302 28 28 CYS N N 118.140 0.300 1 303 29 29 TYR H H 8.887 0.020 1 304 29 29 TYR HA H 4.379 0.020 1 305 29 29 TYR HB2 H 2.711 0.020 1 306 29 29 TYR HB3 H 3.083 0.020 1 307 29 29 TYR HD1 H 6.733 0.020 1 308 29 29 TYR HD2 H 6.733 0.020 1 309 29 29 TYR HE1 H 6.774 0.020 1 310 29 29 TYR HE2 H 6.774 0.020 1 311 29 29 TYR C C 178.130 0.300 1 312 29 29 TYR CA C 59.276 0.300 1 313 29 29 TYR CB C 37.585 0.300 1 314 29 29 TYR CD1 C 131.097 0.300 1 315 29 29 TYR CE1 C 117.416 0.300 1 316 29 29 TYR N N 118.179 0.300 1 317 30 30 THR H H 8.617 0.020 1 318 30 30 THR HA H 3.900 0.020 1 319 30 30 THR HB H 4.532 0.020 1 320 30 30 THR HG1 H 5.581 0.020 1 321 30 30 THR HG2 H 1.263 0.020 1 322 30 30 THR C C 176.440 0.300 1 323 30 30 THR CA C 67.661 0.300 1 324 30 30 THR CB C 68.600 0.300 1 325 30 30 THR CG2 C 20.844 0.300 1 326 30 30 THR N N 116.032 0.300 1 327 31 31 ARG H H 7.774 0.020 1 328 31 31 ARG HA H 4.192 0.020 1 329 31 31 ARG HB2 H 1.822 0.020 1 330 31 31 ARG HB3 H 2.114 0.020 1 331 31 31 ARG HG2 H 1.579 0.020 1 332 31 31 ARG HG3 H 1.891 0.020 1 333 31 31 ARG HD2 H 3.152 0.020 1 334 31 31 ARG HD3 H 3.370 0.020 1 335 31 31 ARG C C 180.307 0.300 1 336 31 31 ARG CA C 60.171 0.300 1 337 31 31 ARG CB C 30.577 0.300 1 338 31 31 ARG CG C 28.887 0.300 1 339 31 31 ARG CD C 43.339 0.300 1 340 31 31 ARG N N 122.949 0.300 1 341 32 32 GLY H H 8.796 0.020 1 342 32 32 GLY HA2 H 3.648 0.020 1 343 32 32 GLY HA3 H 3.892 0.020 1 344 32 32 GLY C C 175.345 0.300 1 345 32 32 GLY CA C 47.966 0.300 1 346 32 32 GLY N N 108.262 0.300 1 347 33 33 ILE H H 8.661 0.020 1 348 33 33 ILE HA H 3.672 0.020 1 349 33 33 ILE HB H 1.845 0.020 1 350 33 33 ILE HG12 H 1.118 0.020 2 351 33 33 ILE HG13 H 1.118 0.020 2 352 33 33 ILE HG2 H 0.931 0.020 1 353 33 33 ILE HD1 H 0.641 0.020 1 354 33 33 ILE C C 177.565 0.300 1 355 33 33 ILE CA C 64.769 0.300 1 356 33 33 ILE CB C 39.091 0.300 1 357 33 33 ILE CG1 C 31.287 0.300 1 358 33 33 ILE CG2 C 16.767 0.300 1 359 33 33 ILE CD1 C 12.109 0.300 1 360 33 33 ILE N N 125.075 0.300 1 361 34 34 ALA H H 7.466 0.020 1 362 34 34 ALA HA H 4.102 0.020 1 363 34 34 ALA HB H 1.515 0.020 1 364 34 34 ALA C C 179.026 0.300 1 365 34 34 ALA CA C 54.394 0.300 1 366 34 34 ALA CB C 17.807 0.300 1 367 34 34 ALA N N 120.396 0.300 1 368 35 35 ALA H H 7.232 0.020 1 369 35 35 ALA HA H 4.385 0.020 1 370 35 35 ALA HB H 1.534 0.020 1 371 35 35 ALA C C 177.350 0.300 1 372 35 35 ALA CA C 53.017 0.300 1 373 35 35 ALA CB C 19.379 0.300 1 374 35 35 ALA N N 117.962 0.300 1 375 36 36 ASP H H 7.906 0.020 1 376 36 36 ASP HA H 4.737 0.020 1 377 36 36 ASP HB2 H 2.461 0.020 1 378 36 36 ASP HB3 H 2.858 0.020 1 379 36 36 ASP C C 175.588 0.300 1 380 36 36 ASP CA C 53.323 0.300 1 381 36 36 ASP CB C 40.959 0.300 1 382 36 36 ASP N N 118.609 0.300 1 383 37 37 GLY H H 8.834 0.020 1 384 37 37 GLY HA2 H 3.782 0.020 1 385 37 37 GLY HA3 H 4.185 0.020 1 386 37 37 GLY C C 174.056 0.300 1 387 37 37 GLY CA C 46.444 0.300 1 388 37 37 GLY N N 112.911 0.300 1 389 38 38 ALA H H 8.226 0.020 1 390 38 38 ALA HA H 4.691 0.020 1 391 38 38 ALA HB H 1.457 0.020 1 392 38 38 ALA C C 176.211 0.300 1 393 38 38 ALA CA C 51.204 0.300 1 394 38 38 ALA CB C 19.261 0.300 1 395 38 38 ALA N N 121.340 0.300 1 396 39 39 ASN H H 6.711 0.020 1 397 39 39 ASN HA H 4.690 0.020 1 398 39 39 ASN HB2 H 2.825 0.020 2 399 39 39 ASN HB3 H 2.825 0.020 2 400 39 39 ASN HD21 H 7.891 0.020 1 401 39 39 ASN HD22 H 6.752 0.020 1 402 39 39 ASN C C 176.211 0.300 1 403 39 39 ASN CA C 52.437 0.300 1 404 39 39 ASN CB C 39.194 0.300 1 405 39 39 ASN N N 116.781 0.300 1 406 39 39 ASN ND2 N 110.376 0.300 1 407 40 40 ALA H H 9.290 0.020 1 408 40 40 ALA HA H 3.898 0.020 1 409 40 40 ALA HB H 1.451 0.020 1 410 40 40 ALA C C 176.841 0.300 1 411 40 40 ALA CA C 54.636 0.300 1 412 40 40 ALA CB C 20.040 0.300 1 413 40 40 ALA N N 130.524 0.300 1 414 41 41 LEU H H 7.614 0.020 1 415 41 41 LEU HA H 4.083 0.020 1 416 41 41 LEU HB2 H 1.528 0.020 1 417 41 41 LEU HB3 H 1.670 0.020 1 418 41 41 LEU HG H 1.582 0.020 1 419 41 41 LEU HD1 H 0.795 0.020 2 420 41 41 LEU HD2 H 0.901 0.020 2 421 41 41 LEU C C 178.825 0.300 1 422 41 41 LEU CA C 57.270 0.300 1 423 41 41 LEU CB C 41.894 0.300 1 424 41 41 LEU CG C 27.402 0.300 1 425 41 41 LEU CD1 C 24.712 0.300 1 426 41 41 LEU CD2 C 24.552 0.300 1 427 41 41 LEU N N 115.286 0.300 1 428 42 42 LEU H H 7.054 0.020 1 429 42 42 LEU HA H 3.887 0.020 1 430 42 42 LEU HB2 H 1.391 0.020 1 431 42 42 LEU HB3 H 2.115 0.020 1 432 42 42 LEU HG H 1.562 0.020 1 433 42 42 LEU HD1 H 1.009 0.020 2 434 42 42 LEU HD2 H 1.055 0.020 2 435 42 42 LEU CA C 59.510 0.300 1 436 42 42 LEU CB C 40.284 0.300 1 437 42 42 LEU CG C 28.052 0.300 1 438 42 42 LEU CD1 C 23.386 0.300 1 439 42 42 LEU CD2 C 25.675 0.300 1 440 42 42 LEU N N 115.131 0.300 1 441 43 43 PRO HA H 4.151 0.020 1 442 43 43 PRO HB2 H 2.020 0.020 1 443 43 43 PRO HB3 H 2.350 0.020 1 444 43 43 PRO HG2 H 1.924 0.020 1 445 43 43 PRO HG3 H 2.045 0.020 1 446 43 43 PRO HD2 H 3.322 0.020 1 447 43 43 PRO HD3 H 4.349 0.020 1 448 43 43 PRO C C 178.051 0.300 1 449 43 43 PRO CA C 65.462 0.300 1 450 43 43 PRO CB C 29.154 0.300 1 451 43 43 PRO CG C 27.031 0.300 1 452 43 43 PRO CD C 49.730 0.300 1 453 44 44 ALA H H 7.073 0.020 1 454 44 44 ALA HA H 3.872 0.020 1 455 44 44 ALA HB H 1.384 0.020 1 456 44 44 ALA C C 180.164 0.300 1 457 44 44 ALA CA C 55.820 0.300 1 458 44 44 ALA CB C 17.911 0.300 1 459 44 44 ALA N N 119.141 0.300 1 460 45 45 ASN H H 8.413 0.020 1 461 45 45 ASN HA H 4.185 0.020 1 462 45 45 ASN HB2 H 1.913 0.020 1 463 45 45 ASN HB3 H 2.162 0.020 1 464 45 45 ASN HD21 H 7.190 0.020 1 465 45 45 ASN HD22 H 6.156 0.020 1 466 45 45 ASN C C 177.206 0.300 1 467 45 45 ASN CA C 54.781 0.300 1 468 45 45 ASN CB C 35.414 0.300 1 469 45 45 ASN N N 121.003 0.300 1 470 45 45 ASN ND2 N 107.191 0.300 1 471 46 46 ARG H H 8.409 0.020 1 472 46 46 ARG HA H 3.707 0.020 1 473 46 46 ARG HB2 H 1.257 0.020 1 474 46 46 ARG HB3 H 2.550 0.020 1 475 46 46 ARG HG2 H 1.316 0.020 1 476 46 46 ARG HG3 H 1.964 0.020 1 477 46 46 ARG HD2 H 2.682 0.020 2 478 46 46 ARG HD3 H 2.682 0.020 2 479 46 46 ARG C C 178.051 0.300 1 480 46 46 ARG CA C 61.510 0.300 1 481 46 46 ARG CB C 29.566 0.300 1 482 46 46 ARG CG C 27.652 0.300 1 483 46 46 ARG CD C 44.055 0.300 1 484 46 46 ARG N N 125.028 0.300 1 485 47 47 ALA H H 8.566 0.020 1 486 47 47 ALA HA H 4.258 0.020 1 487 47 47 ALA HB H 1.708 0.020 1 488 47 47 ALA C C 179.212 0.300 1 489 47 47 ALA CA C 55.747 0.300 1 490 47 47 ALA CB C 20.868 0.300 1 491 47 47 ALA N N 119.320 0.300 1 492 48 48 MET H H 7.159 0.020 1 493 48 48 MET HA H 4.136 0.020 1 494 48 48 MET HB2 H 1.745 0.020 1 495 48 48 MET HB3 H 2.364 0.020 1 496 48 48 MET HG2 H 2.413 0.020 1 497 48 48 MET HG3 H 2.549 0.020 1 498 48 48 MET C C 177.858 0.300 1 499 48 48 MET CA C 58.033 0.300 1 500 48 48 MET CB C 33.380 0.300 1 501 48 48 MET CG C 31.549 0.300 1 502 48 48 MET N N 115.871 0.300 1 503 49 49 ALA H H 7.599 0.020 1 504 49 49 ALA HA H 4.250 0.020 1 505 49 49 ALA HB H 1.735 0.020 1 506 49 49 ALA C C 178.446 0.300 1 507 49 49 ALA CA C 55.768 0.300 1 508 49 49 ALA CB C 18.787 0.300 1 509 49 49 ALA N N 121.435 0.300 1 510 50 50 TYR H H 8.740 0.020 1 511 50 50 TYR HA H 4.405 0.020 1 512 50 50 TYR HB2 H 2.938 0.020 1 513 50 50 TYR HB3 H 3.600 0.020 1 514 50 50 TYR HD1 H 6.878 0.020 1 515 50 50 TYR HD2 H 6.878 0.020 1 516 50 50 TYR HE1 H 6.914 0.020 1 517 50 50 TYR HE2 H 6.914 0.020 1 518 50 50 TYR C C 180.028 0.300 1 519 50 50 TYR CA C 60.508 0.300 1 520 50 50 TYR CB C 36.838 0.300 1 521 50 50 TYR CE1 C 118.717 0.300 1 522 50 50 TYR N N 117.272 0.300 1 523 51 51 LEU H H 8.611 0.020 1 524 51 51 LEU HA H 3.708 0.020 1 525 51 51 LEU HB2 H 1.557 0.020 1 526 51 51 LEU HB3 H 2.246 0.020 1 527 51 51 LEU HG H 1.954 0.020 1 528 51 51 LEU HD1 H 1.064 0.020 2 529 51 51 LEU HD2 H 1.122 0.020 2 530 51 51 LEU C C 180.529 0.300 1 531 51 51 LEU CA C 58.792 0.300 1 532 51 51 LEU CB C 41.946 0.300 1 533 51 51 LEU CG C 27.131 0.300 1 534 51 51 LEU CD1 C 23.898 0.300 1 535 51 51 LEU CD2 C 25.090 0.300 1 536 51 51 LEU N N 119.584 0.300 1 537 52 52 LYS H H 7.305 0.020 1 538 52 52 LYS HA H 3.922 0.020 1 539 52 52 LYS HB2 H 0.830 0.020 1 540 52 52 LYS HB3 H 1.436 0.020 1 541 52 52 LYS HG2 H 0.928 0.020 2 542 52 52 LYS HG3 H 0.928 0.020 2 543 52 52 LYS HD2 H 1.451 0.020 1 544 52 52 LYS HD3 H 1.706 0.020 1 545 52 52 LYS HE2 H 2.985 0.020 2 546 52 52 LYS HE3 H 2.985 0.020 2 547 52 52 LYS C C 178.016 0.300 1 548 52 52 LYS CA C 56.283 0.300 1 549 52 52 LYS CB C 30.592 0.300 1 550 52 52 LYS CG C 24.390 0.300 1 551 52 52 LYS CD C 27.626 0.300 1 552 52 52 LYS CE C 42.155 0.300 1 553 52 52 LYS N N 117.483 0.300 1 554 53 53 ILE H H 7.048 0.020 1 555 53 53 ILE HA H 4.585 0.020 1 556 53 53 ILE HB H 2.272 0.020 1 557 53 53 ILE HG12 H 1.356 0.020 1 558 53 53 ILE HG13 H 1.441 0.020 1 559 53 53 ILE HG2 H 0.915 0.020 1 560 53 53 ILE HD1 H 0.908 0.020 1 561 53 53 ILE C C 174.092 0.300 1 562 53 53 ILE CA C 60.556 0.300 1 563 53 53 ILE CB C 37.136 0.300 1 564 53 53 ILE CG1 C 26.198 0.300 1 565 53 53 ILE CG2 C 18.466 0.300 1 566 53 53 ILE CD1 C 15.207 0.300 1 567 53 53 ILE N N 109.776 0.300 1 568 54 54 GLN H H 7.303 0.020 1 569 54 54 GLN HA H 2.704 0.020 1 570 54 54 GLN HB2 H 1.931 0.020 1 571 54 54 GLN HB3 H 2.281 0.020 1 572 54 54 GLN HG2 H 2.049 0.020 1 573 54 54 GLN HG3 H 2.238 0.020 1 574 54 54 GLN HE21 H 7.442 0.020 1 575 54 54 GLN HE22 H 6.685 0.020 1 576 54 54 GLN C C 174.307 0.300 1 577 54 54 GLN CA C 57.346 0.300 1 578 54 54 GLN CB C 24.855 0.300 1 579 54 54 GLN CG C 34.637 0.300 1 580 54 54 GLN N N 111.867 0.300 1 581 54 54 GLN NE2 N 112.025 0.300 1 582 55 55 LYS H H 7.883 0.020 1 583 55 55 LYS HA H 4.450 0.020 1 584 55 55 LYS HB2 H 1.694 0.020 2 585 55 55 LYS HB3 H 1.694 0.020 2 586 55 55 LYS HG2 H 1.258 0.020 1 587 55 55 LYS HG3 H 1.416 0.020 1 588 55 55 LYS HD2 H 1.551 0.020 2 589 55 55 LYS HD3 H 1.551 0.020 2 590 55 55 LYS HE2 H 2.978 0.020 2 591 55 55 LYS HE3 H 2.978 0.020 2 592 55 55 LYS C C 176.562 0.300 1 593 55 55 LYS CA C 53.964 0.300 1 594 55 55 LYS CB C 30.473 0.300 1 595 55 55 LYS CG C 24.882 0.300 1 596 55 55 LYS CD C 29.400 0.300 1 597 55 55 LYS CE C 42.449 0.300 1 598 55 55 LYS N N 121.213 0.300 1 599 56 56 TYR H H 6.845 0.020 1 600 56 56 TYR HA H 4.029 0.020 1 601 56 56 TYR HB2 H 2.831 0.020 1 602 56 56 TYR HB3 H 3.227 0.020 1 603 56 56 TYR HD1 H 6.970 0.020 1 604 56 56 TYR HD2 H 6.970 0.020 1 605 56 56 TYR HE1 H 6.488 0.020 1 606 56 56 TYR HE2 H 6.488 0.020 1 607 56 56 TYR C C 178.030 0.300 1 608 56 56 TYR CA C 61.477 0.300 1 609 56 56 TYR CB C 37.533 0.300 1 610 56 56 TYR CD1 C 131.801 0.300 1 611 56 56 TYR CE1 C 118.577 0.300 1 612 56 56 TYR N N 120.237 0.300 1 613 57 57 GLU H H 9.191 0.020 1 614 57 57 GLU HA H 4.012 0.020 1 615 57 57 GLU HB2 H 1.926 0.020 1 616 57 57 GLU HB3 H 2.030 0.020 1 617 57 57 GLU HG2 H 2.264 0.020 1 618 57 57 GLU HG3 H 2.436 0.020 1 619 57 57 GLU C C 179.298 0.300 1 620 57 57 GLU CA C 60.339 0.300 1 621 57 57 GLU CB C 29.072 0.300 1 622 57 57 GLU CG C 37.394 0.300 1 623 57 57 GLU N N 121.122 0.300 1 624 58 58 GLU H H 9.324 0.020 1 625 58 58 GLU HA H 3.574 0.020 1 626 58 58 GLU HB2 H 0.544 0.020 1 627 58 58 GLU HB3 H 1.035 0.020 1 628 58 58 GLU HG2 H 1.934 0.020 2 629 58 58 GLU HG3 H 1.934 0.020 2 630 58 58 GLU C C 179.462 0.300 1 631 58 58 GLU CA C 60.484 0.300 1 632 58 58 GLU CB C 25.957 0.300 1 633 58 58 GLU CG C 37.627 0.300 1 634 58 58 GLU N N 121.936 0.300 1 635 59 59 ALA H H 7.955 0.020 1 636 59 59 ALA HA H 4.167 0.020 1 637 59 59 ALA HB H 1.613 0.020 1 638 59 59 ALA C C 179.240 0.300 1 639 59 59 ALA CA C 55.578 0.300 1 640 59 59 ALA CB C 18.950 0.300 1 641 59 59 ALA N N 120.004 0.300 1 642 60 60 GLU H H 8.611 0.020 1 643 60 60 GLU HA H 3.634 0.020 1 644 60 60 GLU HB2 H 1.899 0.020 1 645 60 60 GLU HB3 H 2.427 0.020 1 646 60 60 GLU HG2 H 1.972 0.020 1 647 60 60 GLU HG3 H 2.179 0.020 1 648 60 60 GLU C C 178.059 0.300 1 649 60 60 GLU CA C 60.895 0.300 1 650 60 60 GLU CB C 29.318 0.300 1 651 60 60 GLU CG C 35.838 0.300 1 652 60 60 GLU N N 119.996 0.300 1 653 61 61 LYS H H 7.903 0.020 1 654 61 61 LYS HA H 3.967 0.020 1 655 61 61 LYS HB2 H 1.907 0.020 2 656 61 61 LYS HB3 H 1.907 0.020 2 657 61 61 LYS HG2 H 1.456 0.020 1 658 61 61 LYS HG3 H 1.627 0.020 1 659 61 61 LYS HD2 H 1.628 0.020 2 660 61 61 LYS HD3 H 1.628 0.020 2 661 61 61 LYS HE2 H 2.915 0.020 2 662 61 61 LYS HE3 H 2.915 0.020 2 663 61 61 LYS C C 179.756 0.300 1 664 61 61 LYS CA C 59.952 0.300 1 665 61 61 LYS CB C 32.394 0.300 1 666 61 61 LYS CG C 25.214 0.300 1 667 61 61 LYS CD C 29.032 0.300 1 668 61 61 LYS CE C 41.921 0.300 1 669 61 61 LYS N N 119.121 0.300 1 670 62 62 ASP H H 8.008 0.020 1 671 62 62 ASP HA H 4.616 0.020 1 672 62 62 ASP HB2 H 2.738 0.020 1 673 62 62 ASP HB3 H 3.274 0.020 1 674 62 62 ASP C C 179.591 0.300 1 675 62 62 ASP CA C 57.173 0.300 1 676 62 62 ASP CB C 40.077 0.300 1 677 62 62 ASP N N 122.460 0.300 1 678 63 63 CYS H H 8.280 0.020 1 679 63 63 CYS HA H 3.859 0.020 1 680 63 63 CYS HB2 H 2.642 0.020 1 681 63 63 CYS HB3 H 2.916 0.020 1 682 63 63 CYS C C 176.419 0.300 1 683 63 63 CYS CA C 65.099 0.300 1 684 63 63 CYS CB C 27.515 0.300 1 685 63 63 CYS N N 117.630 0.300 1 686 64 64 THR H H 8.326 0.020 1 687 64 64 THR HA H 3.669 0.020 1 688 64 64 THR HB H 4.357 0.020 1 689 64 64 THR HG1 H 5.566 0.020 1 690 64 64 THR HG2 H 1.143 0.020 1 691 64 64 THR C C 175.051 0.300 1 692 64 64 THR CA C 66.912 0.300 1 693 64 64 THR CB C 68.266 0.300 1 694 64 64 THR CG2 C 21.917 0.300 1 695 64 64 THR N N 118.024 0.300 1 696 65 65 GLN H H 7.806 0.020 1 697 65 65 GLN HA H 4.151 0.020 1 698 65 65 GLN HB2 H 2.190 0.020 1 699 65 65 GLN HB3 H 2.225 0.020 1 700 65 65 GLN HG2 H 2.253 0.020 1 701 65 65 GLN HG3 H 2.571 0.020 1 702 65 65 GLN HE21 H 7.312 0.020 1 703 65 65 GLN HE22 H 6.846 0.020 1 704 65 65 GLN C C 177.536 0.300 1 705 65 65 GLN CA C 58.575 0.300 1 706 65 65 GLN CB C 27.646 0.300 1 707 65 65 GLN CG C 32.482 0.300 1 708 65 65 GLN N N 122.269 0.300 1 709 65 65 GLN NE2 N 110.576 0.300 1 710 66 66 ALA H H 8.114 0.020 1 711 66 66 ALA HA H 3.972 0.020 1 712 66 66 ALA HB H 1.531 0.020 1 713 66 66 ALA C C 178.338 0.300 1 714 66 66 ALA CA C 55.863 0.300 1 715 66 66 ALA CB C 18.611 0.300 1 716 66 66 ALA N N 121.298 0.300 1 717 67 67 ILE H H 8.064 0.020 1 718 67 67 ILE HA H 3.633 0.020 1 719 67 67 ILE HB H 1.454 0.020 1 720 67 67 ILE HG12 H -000.148 0.020 1 721 67 67 ILE HG13 H 1.228 0.020 1 722 67 67 ILE HG2 H 0.716 0.020 1 723 67 67 ILE HD1 H -000.310 0.020 1 724 67 67 ILE C C 177.923 0.300 1 725 67 67 ILE CA C 63.552 0.300 1 726 67 67 ILE CB C 39.194 0.300 1 727 67 67 ILE CG1 C 30.489 0.300 1 728 67 67 ILE CG2 C 18.264 0.300 1 729 67 67 ILE CD1 C 12.555 0.300 1 730 67 67 ILE N N 118.463 0.300 1 731 68 68 LEU H H 7.799 0.020 1 732 68 68 LEU HA H 4.023 0.020 1 733 68 68 LEU HB2 H 1.493 0.020 1 734 68 68 LEU HB3 H 1.750 0.020 1 735 68 68 LEU HG H 1.677 0.020 1 736 68 68 LEU HD1 H 0.891 0.020 2 737 68 68 LEU HD2 H 0.881 0.020 2 738 68 68 LEU C C 179.727 0.300 1 739 68 68 LEU CA C 57.511 0.300 1 740 68 68 LEU CB C 41.634 0.300 1 741 68 68 LEU CG C 26.906 0.300 1 742 68 68 LEU CD1 C 24.379 0.300 1 743 68 68 LEU CD2 C 24.703 0.300 1 744 68 68 LEU N N 120.869 0.300 1 745 69 69 LEU H H 7.435 0.020 1 746 69 69 LEU HA H 4.190 0.020 1 747 69 69 LEU HB2 H 1.326 0.020 1 748 69 69 LEU HB3 H 2.010 0.020 1 749 69 69 LEU HG H 0.670 0.020 1 750 69 69 LEU HD1 H 0.719 0.020 2 751 69 69 LEU HD2 H 0.928 0.020 2 752 69 69 LEU C C 177.887 0.300 1 753 69 69 LEU CA C 56.424 0.300 1 754 69 69 LEU CB C 43.061 0.300 1 755 69 69 LEU CG C 25.932 0.300 1 756 69 69 LEU CD1 C 25.073 0.300 1 757 69 69 LEU CD2 C 21.836 0.300 1 758 69 69 LEU N N 118.606 0.300 1 759 70 70 ASP H H 8.421 0.020 1 760 70 70 ASP HA H 4.622 0.020 1 761 70 70 ASP HB2 H 2.494 0.020 1 762 70 70 ASP HB3 H 2.716 0.020 1 763 70 70 ASP C C 175.058 0.300 1 764 70 70 ASP CA C 53.790 0.300 1 765 70 70 ASP CB C 41.063 0.300 1 766 70 70 ASP N N 120.285 0.300 1 767 71 71 GLY H H 8.645 0.020 1 768 71 71 GLY HA2 H 3.891 0.020 1 769 71 71 GLY HA3 H 4.436 0.020 1 770 71 71 GLY C C 174.493 0.300 1 771 71 71 GLY CA C 46.903 0.300 1 772 71 71 GLY N N 111.492 0.300 1 773 72 72 SER H H 8.379 0.020 1 774 72 72 SER HA H 4.859 0.020 1 775 72 72 SER HB2 H 4.038 0.020 1 776 72 72 SER HB3 H 4.126 0.020 1 777 72 72 SER C C 174.342 0.300 1 778 72 72 SER CA C 57.125 0.300 1 779 72 72 SER CB C 64.161 0.300 1 780 72 72 SER N N 113.626 0.300 1 781 73 73 TYR H H 7.498 0.020 1 782 73 73 TYR HA H 4.897 0.020 1 783 73 73 TYR HB2 H 3.061 0.020 1 784 73 73 TYR HB3 H 3.377 0.020 1 785 73 73 TYR HD1 H 7.079 0.020 1 786 73 73 TYR HD2 H 7.079 0.020 1 787 73 73 TYR HE1 H 6.734 0.020 1 788 73 73 TYR HE2 H 6.734 0.020 1 789 73 73 TYR C C 175.760 0.300 1 790 73 73 TYR CA C 55.602 0.300 1 791 73 73 TYR CB C 35.872 0.300 1 792 73 73 TYR CD1 C 131.066 0.300 1 793 73 73 TYR CE1 C 118.227 0.300 1 794 73 73 TYR N N 123.267 0.300 1 795 74 74 SER H H 8.688 0.020 1 796 74 74 SER HA H 4.077 0.020 1 797 74 74 SER HB2 H 4.124 0.020 2 798 74 74 SER HB3 H 4.124 0.020 2 799 74 74 SER C C 176.756 0.300 1 800 74 74 SER CA C 62.821 0.300 1 801 74 74 SER CB C 62.685 0.300 1 802 74 74 SER N N 125.984 0.300 1 803 75 75 LYS H H 7.889 0.020 1 804 75 75 LYS HA H 4.063 0.020 1 805 75 75 LYS HB2 H 1.457 0.020 2 806 75 75 LYS HB3 H 1.457 0.020 2 807 75 75 LYS HG2 H 1.530 0.020 2 808 75 75 LYS HG3 H 1.530 0.020 2 809 75 75 LYS HD2 H 1.695 0.020 2 810 75 75 LYS HD3 H 1.695 0.020 2 811 75 75 LYS HE2 H 3.044 0.020 2 812 75 75 LYS HE3 H 3.044 0.020 2 813 75 75 LYS C C 178.574 0.300 1 814 75 75 LYS CA C 58.999 0.300 1 815 75 75 LYS CB C 32.238 0.300 1 816 75 75 LYS CG C 25.409 0.300 1 817 75 75 LYS CD C 28.926 0.300 1 818 75 75 LYS CE C 42.169 0.300 1 819 75 75 LYS N N 118.128 0.300 1 820 76 76 ALA H H 6.978 0.020 1 821 76 76 ALA HA H 3.865 0.020 1 822 76 76 ALA HB H 1.199 0.020 1 823 76 76 ALA C C 179.283 0.300 1 824 76 76 ALA CA C 55.081 0.300 1 825 76 76 ALA CB C 18.794 0.300 1 826 76 76 ALA N N 118.081 0.300 1 827 77 77 PHE H H 7.137 0.020 1 828 77 77 PHE HA H 3.848 0.020 1 829 77 77 PHE HB2 H 2.925 0.020 1 830 77 77 PHE HB3 H 3.071 0.020 1 831 77 77 PHE C C 177.686 0.300 1 832 77 77 PHE CA C 62.997 0.300 1 833 77 77 PHE CB C 39.402 0.300 1 834 77 77 PHE N N 116.591 0.300 1 835 78 78 ALA H H 8.013 0.020 1 836 78 78 ALA HA H 3.845 0.020 1 837 78 78 ALA HB H 1.624 0.020 1 838 78 78 ALA C C 180.150 0.300 1 839 78 78 ALA CA C 55.349 0.300 1 840 78 78 ALA CB C 18.310 0.300 1 841 78 78 ALA N N 121.967 0.300 1 842 79 79 ARG H H 8.119 0.020 1 843 79 79 ARG HA H 4.065 0.020 1 844 79 79 ARG HB2 H 1.624 0.020 1 845 79 79 ARG HB3 H 1.920 0.020 1 846 79 79 ARG HG2 H 1.824 0.020 1 847 79 79 ARG HG3 H 2.005 0.020 1 848 79 79 ARG HD2 H 2.706 0.020 1 849 79 79 ARG HD3 H 2.913 0.020 1 850 79 79 ARG C C 177.400 0.300 1 851 79 79 ARG CA C 59.372 0.300 1 852 79 79 ARG CB C 31.252 0.300 1 853 79 79 ARG CG C 28.629 0.300 1 854 79 79 ARG CD C 44.296 0.300 1 855 79 79 ARG N N 118.240 0.300 1 856 80 80 ARG H H 8.278 0.020 1 857 80 80 ARG HA H 3.709 0.020 1 858 80 80 ARG HB2 H 1.206 0.020 1 859 80 80 ARG HB3 H 2.155 0.020 1 860 80 80 ARG HG2 H 1.529 0.020 2 861 80 80 ARG HG3 H 1.529 0.020 2 862 80 80 ARG HD2 H 2.472 0.020 2 863 80 80 ARG HD3 H 2.472 0.020 2 864 80 80 ARG C C 179.111 0.300 1 865 80 80 ARG CA C 61.441 0.300 1 866 80 80 ARG CB C 29.466 0.300 1 867 80 80 ARG CG C 29.048 0.300 1 868 80 80 ARG CD C 44.710 0.300 1 869 80 80 ARG N N 123.853 0.300 1 870 81 81 GLY H H 8.719 0.020 1 871 81 81 GLY HA2 H 2.701 0.020 1 872 81 81 GLY HA3 H 3.387 0.020 1 873 81 81 GLY C C 176.634 0.300 1 874 81 81 GLY CA C 47.966 0.300 1 875 81 81 GLY N N 108.863 0.300 1 876 82 82 THR H H 8.169 0.020 1 877 82 82 THR HA H 4.107 0.020 1 878 82 82 THR HB H 4.519 0.020 1 879 82 82 THR HG2 H 1.493 0.020 1 880 82 82 THR C C 176.620 0.300 1 881 82 82 THR CA C 67.687 0.300 1 882 82 82 THR CB C 68.631 0.300 1 883 82 82 THR CG2 C 22.125 0.300 1 884 82 82 THR N N 121.308 0.300 1 885 83 83 ALA H H 8.510 0.020 1 886 83 83 ALA HA H 4.032 0.020 1 887 83 83 ALA HB H 1.700 0.020 1 888 83 83 ALA C C 179.047 0.300 1 889 83 83 ALA CA C 56.400 0.300 1 890 83 83 ALA CB C 17.859 0.300 1 891 83 83 ALA N N 123.985 0.300 1 892 84 84 ARG H H 9.047 0.020 1 893 84 84 ARG HA H 3.775 0.020 1 894 84 84 ARG HB2 H 1.531 0.020 1 895 84 84 ARG HB3 H 1.996 0.020 1 896 84 84 ARG HG2 H 1.827 0.020 2 897 84 84 ARG HG3 H 1.827 0.020 2 898 84 84 ARG HD2 H 2.608 0.020 2 899 84 84 ARG HD3 H 2.608 0.020 2 900 84 84 ARG C C 178.216 0.300 1 901 84 84 ARG CA C 60.532 0.300 1 902 84 84 ARG CB C 29.752 0.300 1 903 84 84 ARG CG C 29.820 0.300 1 904 84 84 ARG CD C 43.559 0.300 1 905 84 84 ARG N N 114.269 0.300 1 906 85 85 THR H H 8.206 0.020 1 907 85 85 THR HA H 3.702 0.020 1 908 85 85 THR HB H 4.199 0.020 1 909 85 85 THR HG2 H 1.126 0.020 1 910 85 85 THR C C 177.708 0.300 1 911 85 85 THR CA C 67.342 0.300 1 912 85 85 THR CB C 68.151 0.300 1 913 85 85 THR CG2 C 21.356 0.300 1 914 85 85 THR N N 116.689 0.300 1 915 86 86 PHE H H 7.323 0.020 1 916 86 86 PHE HA H 4.067 0.020 1 917 86 86 PHE HB2 H 2.080 0.020 2 918 86 86 PHE HB3 H 2.080 0.020 2 919 86 86 PHE HD1 H 7.049 0.020 1 920 86 86 PHE HD2 H 7.049 0.020 1 921 86 86 PHE C C 178.009 0.300 1 922 86 86 PHE CA C 61.543 0.300 1 923 86 86 PHE CB C 37.805 0.300 1 924 86 86 PHE CD1 C 131.721 0.300 1 925 86 86 PHE N N 121.797 0.300 1 926 87 87 LEU H H 7.535 0.020 1 927 87 87 LEU HA H 4.383 0.020 1 928 87 87 LEU HB2 H 1.729 0.020 1 929 87 87 LEU HB3 H 1.762 0.020 1 930 87 87 LEU HG H 1.776 0.020 1 931 87 87 LEU HD1 H 1.049 0.020 2 932 87 87 LEU HD2 H 0.726 0.020 2 933 87 87 LEU C C 176.827 0.300 1 934 87 87 LEU CA C 54.974 0.300 1 935 87 87 LEU CB C 43.295 0.300 1 936 87 87 LEU CG C 25.976 0.300 1 937 87 87 LEU CD1 C 22.938 0.300 1 938 87 87 LEU CD2 C 25.691 0.300 1 939 87 87 LEU N N 117.197 0.300 1 940 88 88 GLY H H 7.721 0.020 1 941 88 88 GLY HA2 H 3.670 0.020 1 942 88 88 GLY HA3 H 4.237 0.020 1 943 88 88 GLY C C 174.718 0.300 1 944 88 88 GLY CA C 45.719 0.300 1 945 88 88 GLY N N 107.669 0.300 1 946 89 89 LYS H H 8.180 0.020 1 947 89 89 LYS HA H 4.648 0.020 1 948 89 89 LYS HB2 H 1.525 0.020 1 949 89 89 LYS HB3 H 1.972 0.020 1 950 89 89 LYS HG2 H 1.330 0.020 2 951 89 89 LYS HG3 H 1.330 0.020 2 952 89 89 LYS HD2 H 1.698 0.020 2 953 89 89 LYS HD3 H 1.698 0.020 2 954 89 89 LYS HE2 H 2.865 0.020 2 955 89 89 LYS HE3 H 2.865 0.020 2 956 89 89 LYS C C 176.756 0.300 1 957 89 89 LYS CA C 54.413 0.300 1 958 89 89 LYS CB C 30.636 0.300 1 959 89 89 LYS CG C 24.578 0.300 1 960 89 89 LYS CD C 30.282 0.300 1 961 89 89 LYS CE C 42.017 0.300 1 962 89 89 LYS N N 124.184 0.300 1 963 90 90 LEU H H 7.524 0.020 1 964 90 90 LEU HA H 3.884 0.020 1 965 90 90 LEU HB2 H 1.502 0.020 1 966 90 90 LEU HB3 H 1.879 0.020 1 967 90 90 LEU HG H 1.677 0.020 1 968 90 90 LEU HD1 H 0.905 0.020 2 969 90 90 LEU HD2 H 1.013 0.020 2 970 90 90 LEU C C 179.369 0.300 1 971 90 90 LEU CA C 58.551 0.300 1 972 90 90 LEU CB C 40.855 0.300 1 973 90 90 LEU CG C 27.451 0.300 1 974 90 90 LEU CD1 C 22.674 0.300 1 975 90 90 LEU CD2 C 25.184 0.300 1 976 90 90 LEU N N 119.476 0.300 1 977 91 91 ASN H H 8.781 0.020 1 978 91 91 ASN HA H 4.417 0.020 1 979 91 91 ASN HB2 H 2.736 0.020 1 980 91 91 ASN HB3 H 2.802 0.020 1 981 91 91 ASN HD21 H 7.058 0.020 1 982 91 91 ASN HD22 H 7.786 0.020 1 983 91 91 ASN C C 178.167 0.300 1 984 91 91 ASN CA C 56.592 0.300 1 985 91 91 ASN CB C 37.572 0.300 1 986 91 91 ASN N N 119.236 0.300 1 987 91 91 ASN ND2 N 113.969 0.300 1 988 92 92 GLU H H 8.920 0.020 1 989 92 92 GLU HA H 3.989 0.020 1 990 92 92 GLU HB2 H 1.925 0.020 1 991 92 92 GLU HB3 H 2.030 0.020 1 992 92 92 GLU HG2 H 2.352 0.020 1 993 92 92 GLU HG3 H 2.648 0.020 1 994 92 92 GLU C C 178.488 0.300 1 995 92 92 GLU CA C 60.097 0.300 1 996 92 92 GLU CB C 28.809 0.300 1 997 92 92 GLU CG C 37.304 0.300 1 998 92 92 GLU N N 121.798 0.300 1 999 93 93 ALA H H 8.537 0.020 1 1000 93 93 ALA HA H 3.879 0.020 1 1001 93 93 ALA HB H 1.445 0.020 1 1002 93 93 ALA C C 178.317 0.300 1 1003 93 93 ALA CA C 55.249 0.300 1 1004 93 93 ALA CB C 18.704 0.300 1 1005 93 93 ALA N N 122.323 0.300 1 1006 94 94 LYS H H 8.133 0.020 1 1007 94 94 LYS HA H 3.961 0.020 1 1008 94 94 LYS HB2 H 1.958 0.020 1 1009 94 94 LYS HB3 H 2.132 0.020 1 1010 94 94 LYS HG2 H 1.351 0.020 2 1011 94 94 LYS HG3 H 1.351 0.020 2 1012 94 94 LYS HD2 H 1.705 0.020 2 1013 94 94 LYS HD3 H 1.705 0.020 2 1014 94 94 LYS HE2 H 2.960 0.020 2 1015 94 94 LYS HE3 H 2.960 0.020 2 1016 94 94 LYS C C 177.815 0.300 1 1017 94 94 LYS CA C 59.975 0.300 1 1018 94 94 LYS CB C 32.100 0.300 1 1019 94 94 LYS CG C 24.386 0.300 1 1020 94 94 LYS CD C 30.116 0.300 1 1021 94 94 LYS CE C 41.906 0.300 1 1022 94 94 LYS N N 116.763 0.300 1 1023 95 95 GLN H H 7.346 0.020 1 1024 95 95 GLN HA H 4.110 0.020 1 1025 95 95 GLN HB2 H 2.176 0.020 1 1026 95 95 GLN HB3 H 2.220 0.020 1 1027 95 95 GLN HG2 H 2.451 0.020 1 1028 95 95 GLN HG3 H 2.573 0.020 1 1029 95 95 GLN HE21 H 6.861 0.020 1 1030 95 95 GLN HE22 H 7.390 0.020 1 1031 95 95 GLN C C 179.190 0.300 1 1032 95 95 GLN CA C 58.768 0.300 1 1033 95 95 GLN CB C 28.218 0.300 1 1034 95 95 GLN CG C 34.066 0.300 1 1035 95 95 GLN N N 116.382 0.300 1 1036 95 95 GLN NE2 N 111.865 0.300 1 1037 96 96 ASP H H 7.724 0.020 1 1038 96 96 ASP HA H 4.579 0.020 1 1039 96 96 ASP HB2 H 2.479 0.020 1 1040 96 96 ASP HB3 H 2.908 0.020 1 1041 96 96 ASP C C 179.033 0.300 1 1042 96 96 ASP CA C 58.633 0.300 1 1043 96 96 ASP CB C 39.157 0.300 1 1044 96 96 ASP N N 122.739 0.300 1 1045 97 97 PHE H H 8.464 0.020 1 1046 97 97 PHE HA H 4.457 0.020 1 1047 97 97 PHE HB2 H 2.940 0.020 1 1048 97 97 PHE HB3 H 3.150 0.020 1 1049 97 97 PHE HD1 H 7.009 0.020 1 1050 97 97 PHE HD2 H 7.009 0.020 1 1051 97 97 PHE HE1 H 7.211 0.020 1 1052 97 97 PHE HE2 H 7.211 0.020 1 1053 97 97 PHE C C 178.574 0.300 1 1054 97 97 PHE CA C 61.895 0.300 1 1055 97 97 PHE CB C 38.138 0.300 1 1056 97 97 PHE CD1 C 130.871 0.300 1 1057 97 97 PHE CE1 C 131.222 0.300 1 1058 97 97 PHE N N 118.741 0.300 1 1059 98 98 GLU H H 8.860 0.020 1 1060 98 98 GLU HA H 3.944 0.020 1 1061 98 98 GLU HB2 H 1.887 0.020 1 1062 98 98 GLU HB3 H 2.270 0.020 1 1063 98 98 GLU HG2 H 2.628 0.020 2 1064 98 98 GLU HG3 H 2.628 0.020 2 1065 98 98 GLU C C 180.322 0.300 1 1066 98 98 GLU CA C 59.904 0.300 1 1067 98 98 GLU CB C 28.729 0.300 1 1068 98 98 GLU CG C 37.168 0.300 1 1069 98 98 GLU N N 119.355 0.300 1 1070 99 99 THR H H 8.162 0.020 1 1071 99 99 THR HA H 3.706 0.020 1 1072 99 99 THR HB H 3.967 0.020 1 1073 99 99 THR HG2 H 0.069 0.020 1 1074 99 99 THR C C 176.097 0.300 1 1075 99 99 THR CA C 67.337 0.300 1 1076 99 99 THR CB C 68.158 0.300 1 1077 99 99 THR CG2 C 19.360 0.300 1 1078 99 99 THR N N 119.373 0.300 1 1079 100 100 VAL H H 8.010 0.020 1 1080 100 100 VAL HA H 3.269 0.020 1 1081 100 100 VAL HB H 2.558 0.020 1 1082 100 100 VAL HG1 H 0.945 0.020 2 1083 100 100 VAL HG2 H 1.229 0.020 2 1084 100 100 VAL C C 176.799 0.300 1 1085 100 100 VAL CA C 67.956 0.300 1 1086 100 100 VAL CB C 30.516 0.300 1 1087 100 100 VAL CG1 C 21.861 0.300 1 1088 100 100 VAL CG2 C 23.930 0.300 1 1089 100 100 VAL N N 121.572 0.300 1 1090 101 101 LEU H H 7.280 0.020 1 1091 101 101 LEU HA H 4.119 0.020 1 1092 101 101 LEU HB2 H 1.506 0.020 1 1093 101 101 LEU HB3 H 1.765 0.020 1 1094 101 101 LEU HG H 1.757 0.020 1 1095 101 101 LEU HD1 H 1.020 0.020 2 1096 101 101 LEU HD2 H 0.862 0.020 2 1097 101 101 LEU C C 179.083 0.300 1 1098 101 101 LEU CA C 56.670 0.300 1 1099 101 101 LEU CB C 41.559 0.300 1 1100 101 101 LEU CG C 26.645 0.300 1 1101 101 101 LEU CD1 C 24.166 0.300 1 1102 101 101 LEU CD2 C 25.865 0.300 1 1103 101 101 LEU N N 115.483 0.300 1 1104 102 102 LEU H H 7.447 0.020 1 1105 102 102 LEU HA H 4.136 0.020 1 1106 102 102 LEU HB2 H 1.652 0.020 1 1107 102 102 LEU HB3 H 1.860 0.020 1 1108 102 102 LEU HG H 1.696 0.020 1 1109 102 102 LEU HD1 H 0.849 0.020 2 1110 102 102 LEU HD2 H 0.885 0.020 2 1111 102 102 LEU C C 179.291 0.300 1 1112 102 102 LEU CA C 57.173 0.300 1 1113 102 102 LEU CB C 42.041 0.300 1 1114 102 102 LEU CG C 26.425 0.300 1 1115 102 102 LEU CD1 C 23.507 0.300 1 1116 102 102 LEU CD2 C 24.717 0.300 1 1117 102 102 LEU N N 119.439 0.300 1 1118 103 103 LEU H H 7.717 0.020 1 1119 103 103 LEU HA H 4.213 0.020 1 1120 103 103 LEU HB2 H 1.604 0.020 1 1121 103 103 LEU HB3 H 1.859 0.020 1 1122 103 103 LEU HG H 0.720 0.020 1 1123 103 103 LEU HD1 H 0.928 0.020 2 1124 103 103 LEU HD2 H 0.671 0.020 2 1125 103 103 LEU C C 178.059 0.300 1 1126 103 103 LEU CA C 56.497 0.300 1 1127 103 103 LEU CB C 43.221 0.300 1 1128 103 103 LEU CG C 25.930 0.300 1 1129 103 103 LEU CD1 C 21.846 0.300 1 1130 103 103 LEU CD2 C 26.149 0.300 1 1131 103 103 LEU N N 118.892 0.300 1 1132 104 104 GLU H H 9.152 0.020 1 1133 104 104 GLU HA H 4.611 0.020 1 1134 104 104 GLU HB2 H 1.904 0.020 1 1135 104 104 GLU HB3 H 2.180 0.020 1 1136 104 104 GLU HG2 H 2.171 0.020 1 1137 104 104 GLU HG3 H 2.300 0.020 1 1138 104 104 GLU CA C 53.621 0.300 1 1139 104 104 GLU CB C 30.723 0.300 1 1140 104 104 GLU CG C 36.573 0.300 1 1141 104 104 GLU N N 121.456 0.300 1 1142 105 105 PRO HA H 4.614 0.020 1 1143 105 105 PRO HB2 H 1.867 0.020 1 1144 105 105 PRO HB3 H 2.353 0.020 1 1145 105 105 PRO HG2 H 2.048 0.020 2 1146 105 105 PRO HG3 H 2.048 0.020 2 1147 105 105 PRO HD2 H 3.416 0.020 2 1148 105 105 PRO HD3 H 3.416 0.020 2 1149 105 105 PRO C C 178.603 0.300 1 1150 105 105 PRO CA C 64.381 0.300 1 1151 105 105 PRO CB C 31.521 0.300 1 1152 105 105 PRO CG C 27.312 0.300 1 1153 105 105 PRO CD C 49.730 0.300 1 1154 106 106 GLY H H 8.601 0.020 1 1155 106 106 GLY HA2 H 3.907 0.020 2 1156 106 106 GLY HA3 H 3.907 0.020 2 1157 106 106 GLY C C 174.256 0.300 1 1158 106 106 GLY CA C 44.921 0.300 1 1159 106 106 GLY N N 108.969 0.300 1 1160 107 107 ASN H H 7.785 0.020 1 1161 107 107 ASN HA H 4.385 0.020 1 1162 107 107 ASN HB2 H 2.672 0.020 1 1163 107 107 ASN HB3 H 2.997 0.020 1 1164 107 107 ASN HD21 H 7.869 0.020 1 1165 107 107 ASN HD22 H 6.983 0.020 1 1166 107 107 ASN C C 175.216 0.300 1 1167 107 107 ASN CA C 55.602 0.300 1 1168 107 107 ASN CB C 39.662 0.300 1 1169 107 107 ASN N N 120.189 0.300 1 1170 107 107 ASN ND2 N 113.840 0.300 1 1171 108 108 LYS H H 8.538 0.020 1 1172 108 108 LYS HA H 3.939 0.020 1 1173 108 108 LYS HB2 H 1.842 0.020 2 1174 108 108 LYS HB3 H 1.842 0.020 2 1175 108 108 LYS HG2 H 1.612 0.020 1 1176 108 108 LYS HG3 H 1.464 0.020 1 1177 108 108 LYS HD2 H 1.636 0.020 2 1178 108 108 LYS HD3 H 1.636 0.020 2 1179 108 108 LYS HE2 H 3.034 0.020 2 1180 108 108 LYS HE3 H 3.034 0.020 2 1181 108 108 LYS C C 178.868 0.300 1 1182 108 108 LYS CA C 59.154 0.300 1 1183 108 108 LYS CB C 32.518 0.300 1 1184 108 108 LYS CG C 25.046 0.300 1 1185 108 108 LYS CD C 29.125 0.300 1 1186 108 108 LYS CE C 42.039 0.300 1 1187 108 108 LYS N N 128.014 0.300 1 1188 109 109 GLN H H 8.222 0.020 1 1189 109 109 GLN HA H 4.051 0.020 1 1190 109 109 GLN HB2 H 2.163 0.020 1 1191 109 109 GLN HB3 H 2.218 0.020 1 1192 109 109 GLN HG2 H 2.227 0.020 1 1193 109 109 GLN HG3 H 2.485 0.020 1 1194 109 109 GLN HE21 H 7.748 0.020 1 1195 109 109 GLN HE22 H 6.835 0.020 1 1196 109 109 GLN C C 177.708 0.300 1 1197 109 109 GLN CA C 58.851 0.300 1 1198 109 109 GLN CB C 27.722 0.300 1 1199 109 109 GLN CG C 33.594 0.300 1 1200 109 109 GLN N N 121.679 0.300 1 1201 109 109 GLN NE2 N 112.086 0.300 1 1202 110 110 ALA H H 8.739 0.020 1 1203 110 110 ALA HA H 3.740 0.020 1 1204 110 110 ALA HB H 1.519 0.020 1 1205 110 110 ALA C C 178.782 0.300 1 1206 110 110 ALA CA C 55.361 0.300 1 1207 110 110 ALA CB C 18.223 0.300 1 1208 110 110 ALA N N 121.431 0.300 1 1209 111 111 VAL H H 7.691 0.020 1 1210 111 111 VAL HA H 3.576 0.020 1 1211 111 111 VAL HB H 2.101 0.020 1 1212 111 111 VAL HG1 H 0.936 0.020 2 1213 111 111 VAL HG2 H 1.083 0.020 2 1214 111 111 VAL C C 179.319 0.300 1 1215 111 111 VAL CA C 66.596 0.300 1 1216 111 111 VAL CB C 32.083 0.300 1 1217 111 111 VAL CG1 C 21.116 0.300 1 1218 111 111 VAL CG2 C 22.876 0.300 1 1219 111 111 VAL N N 116.272 0.300 1 1220 112 112 THR H H 8.030 0.020 1 1221 112 112 THR HA H 3.852 0.020 1 1222 112 112 THR HB H 4.272 0.020 1 1223 112 112 THR HG2 H 1.168 0.020 1 1224 112 112 THR C C 177.260 0.300 1 1225 112 112 THR CA C 66.368 0.300 1 1226 112 112 THR CB C 68.665 0.300 1 1227 112 112 THR CG2 C 21.560 0.300 1 1228 112 112 THR N N 117.422 0.300 1 1229 113 113 GLU H H 8.421 0.020 1 1230 113 113 GLU HA H 3.847 0.020 1 1231 113 113 GLU HB2 H 0.666 0.020 1 1232 113 113 GLU HB3 H 1.292 0.020 1 1233 113 113 GLU HG2 H 1.788 0.020 1 1234 113 113 GLU HG3 H 2.167 0.020 1 1235 113 113 GLU C C 179.813 0.300 1 1236 113 113 GLU CA C 58.671 0.300 1 1237 113 113 GLU CB C 27.960 0.300 1 1238 113 113 GLU CG C 35.719 0.300 1 1239 113 113 GLU N N 121.540 0.300 1 1240 114 114 LEU H H 8.197 0.020 1 1241 114 114 LEU HA H 4.023 0.020 1 1242 114 114 LEU HB2 H 1.497 0.020 1 1243 114 114 LEU HB3 H 1.842 0.020 1 1244 114 114 LEU HG H 1.663 0.020 1 1245 114 114 LEU HD1 H 0.866 0.020 2 1246 114 114 LEU HD2 H 1.116 0.020 2 1247 114 114 LEU C C 179.298 0.300 1 1248 114 114 LEU CA C 57.758 0.300 1 1249 114 114 LEU CB C 41.426 0.300 1 1250 114 114 LEU CG C 27.405 0.300 1 1251 114 114 LEU CD1 C 25.471 0.300 1 1252 114 114 LEU CD2 C 24.721 0.300 1 1253 114 114 LEU N N 119.510 0.300 1 1254 115 115 SER H H 7.789 0.020 1 1255 115 115 SER HA H 4.226 0.020 1 1256 115 115 SER HB2 H 3.997 0.020 2 1257 115 115 SER HB3 H 3.997 0.020 2 1258 115 115 SER C C 175.684 0.300 1 1259 115 115 SER CA C 60.982 0.300 1 1260 115 115 SER CB C 62.925 0.300 1 1261 115 115 SER N N 114.449 0.300 1 1262 116 116 LYS H H 7.392 0.020 1 1263 116 116 LYS HA H 4.136 0.020 1 1264 116 116 LYS HB2 H 1.890 0.020 2 1265 116 116 LYS HB3 H 1.890 0.020 2 1266 116 116 LYS HG2 H 1.521 0.020 2 1267 116 116 LYS HG3 H 1.521 0.020 2 1268 116 116 LYS HD2 H 1.689 0.020 2 1269 116 116 LYS HD3 H 1.689 0.020 2 1270 116 116 LYS HE2 H 2.825 0.020 2 1271 116 116 LYS HE3 H 2.825 0.020 2 1272 116 116 LYS C C 178.192 0.300 1 1273 116 116 LYS CA C 58.250 0.300 1 1274 116 116 LYS CB C 32.758 0.300 1 1275 116 116 LYS CG C 24.871 0.300 1 1276 116 116 LYS CD C 29.166 0.300 1 1277 116 116 LYS CE C 42.001 0.300 1 1278 116 116 LYS N N 120.119 0.300 1 1279 117 117 ILE H H 7.554 0.020 1 1280 117 117 ILE HA H 3.960 0.020 1 1281 117 117 ILE HB H 1.916 0.020 1 1282 117 117 ILE HG12 H 1.174 0.020 1 1283 117 117 ILE HG13 H 1.733 0.020 1 1284 117 117 ILE HG2 H 0.943 0.020 1 1285 117 117 ILE HD1 H 0.961 0.020 1 1286 117 117 ILE C C 176.466 0.300 1 1287 117 117 ILE CA C 62.956 0.300 1 1288 117 117 ILE CB C 38.675 0.300 1 1289 117 117 ILE CG1 C 28.116 0.300 1 1290 117 117 ILE CG2 C 17.615 0.300 1 1291 117 117 ILE CD1 C 13.775 0.300 1 1292 117 117 ILE N N 118.173 0.300 1 1293 118 118 LYS H H 7.945 0.020 1 1294 118 118 LYS HA H 4.249 0.020 1 1295 118 118 LYS HB2 H 1.798 0.020 1 1296 118 118 LYS HB3 H 1.896 0.020 1 1297 118 118 LYS HG2 H 1.442 0.020 1 1298 118 118 LYS HG3 H 1.499 0.020 1 1299 118 118 LYS HD2 H 1.692 0.020 2 1300 118 118 LYS HD3 H 1.692 0.020 2 1301 118 118 LYS HE2 H 2.978 0.020 2 1302 118 118 LYS HE3 H 2.978 0.020 2 1303 118 118 LYS C C 176.321 0.300 1 1304 118 118 LYS CA C 56.947 0.300 1 1305 118 118 LYS CB C 32.870 0.300 1 1306 118 118 LYS CG C 24.717 0.300 1 1307 118 118 LYS CD C 29.124 0.300 1 1308 118 118 LYS CE C 42.036 0.300 1 1309 118 118 LYS N N 122.660 0.300 1 1310 119 119 LYS H H 7.983 0.020 1 1311 119 119 LYS HA H 4.291 0.020 1 1312 119 119 LYS HB2 H 1.794 0.020 1 1313 119 119 LYS HB3 H 1.900 0.020 1 1314 119 119 LYS HG2 H 1.476 0.020 2 1315 119 119 LYS HG3 H 1.476 0.020 2 1316 119 119 LYS HD2 H 1.692 0.020 2 1317 119 119 LYS HD3 H 1.692 0.020 2 1318 119 119 LYS HE2 H 3.012 0.020 2 1319 119 119 LYS HE3 H 3.012 0.020 2 1320 119 119 LYS C C 175.665 0.300 1 1321 119 119 LYS CA C 56.544 0.300 1 1322 119 119 LYS CB C 32.757 0.300 1 1323 119 119 LYS CG C 24.719 0.300 1 1324 119 119 LYS CD C 29.185 0.300 1 1325 119 119 LYS CE C 42.134 0.300 1 1326 119 119 LYS N N 121.852 0.300 1 1327 120 120 LYS H H 7.896 0.020 1 1328 120 120 LYS HA H 4.122 0.020 1 1329 120 120 LYS HB2 H 1.752 0.020 1 1330 120 120 LYS HB3 H 1.833 0.020 1 1331 120 120 LYS HG2 H 1.437 0.020 2 1332 120 120 LYS HG3 H 1.437 0.020 2 1333 120 120 LYS HD2 H 1.689 0.020 2 1334 120 120 LYS HD3 H 1.689 0.020 2 1335 120 120 LYS HE2 H 3.004 0.020 2 1336 120 120 LYS HE3 H 3.004 0.020 2 1337 120 120 LYS CA C 57.931 0.300 1 1338 120 120 LYS CB C 33.422 0.300 1 1339 120 120 LYS CG C 24.846 0.300 1 1340 120 120 LYS CD C 29.201 0.300 1 1341 120 120 LYS CE C 42.042 0.300 1 1342 120 120 LYS N N 127.912 0.300 1 stop_ save_