data_7193 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence specific resonance assignments of a hypothetical protein PA1123 (NESG ID: PaT4) from Pseudomonas aeruginosa ; _BMRB_accession_number 7193 _BMRB_flat_file_name bmr7193.str _Entry_type original _Submission_date 2006-06-27 _Accession_date 2006-06-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Srisailam Sampath . . 2 Lemak Alexander . . 3 Yee Adelinda . . 4 Lukin Jonathan A. . 5 Arrowsmith Cheryl H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 594 "13C chemical shifts" 434 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-08-11 original author . stop_ _Original_release_date 2006-08-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Sequence specific assignment of a hypothetical protein PA1123 (NESG ID: PaT4) from Pseudomonas aeruginosa' _Citation_status published _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Srisailam Sampath . . 2 Lemak Alexander . . 3 Yee Adelinda . . 4 Lukin Jonathan A. . 5 Arrowsmith Cheryl H. . stop_ _Journal_abbreviation . _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 PA1123 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PA1123 $PA1123 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PA1123 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'hypothetical protein' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; MSITSTDICQAADALKGFVG FNRKTGRYIVRFSEDSFGMD VADDSITPTSEFVWSSVRDD VMRLGREQLQILLEQNINER LNIGEPLLVYLRRQDLPEIT AQRQLR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 ILE 4 4 THR 5 5 SER 6 6 THR 7 7 ASP 8 8 ILE 9 9 CYS 10 10 GLN 11 11 ALA 12 12 ALA 13 13 ASP 14 14 ALA 15 15 LEU 16 16 LYS 17 17 GLY 18 18 PHE 19 19 VAL 20 20 GLY 21 21 PHE 22 22 ASN 23 23 ARG 24 24 LYS 25 25 THR 26 26 GLY 27 27 ARG 28 28 TYR 29 29 ILE 30 30 VAL 31 31 ARG 32 32 PHE 33 33 SER 34 34 GLU 35 35 ASP 36 36 SER 37 37 PHE 38 38 GLY 39 39 MET 40 40 ASP 41 41 VAL 42 42 ALA 43 43 ASP 44 44 ASP 45 45 SER 46 46 ILE 47 47 THR 48 48 PRO 49 49 THR 50 50 SER 51 51 GLU 52 52 PHE 53 53 VAL 54 54 TRP 55 55 SER 56 56 SER 57 57 VAL 58 58 ARG 59 59 ASP 60 60 ASP 61 61 VAL 62 62 MET 63 63 ARG 64 64 LEU 65 65 GLY 66 66 ARG 67 67 GLU 68 68 GLN 69 69 LEU 70 70 GLN 71 71 ILE 72 72 LEU 73 73 LEU 74 74 GLU 75 75 GLN 76 76 ASN 77 77 ILE 78 78 ASN 79 79 GLU 80 80 ARG 81 81 LEU 82 82 ASN 83 83 ILE 84 84 GLY 85 85 GLU 86 86 PRO 87 87 LEU 88 88 LEU 89 89 VAL 90 90 TYR 91 91 LEU 92 92 ARG 93 93 ARG 94 94 GLN 95 95 ASP 96 96 LEU 97 97 PRO 98 98 GLU 99 99 ILE 100 100 THR 101 101 ALA 102 102 GLN 103 103 ARG 104 104 GLN 105 105 LEU 106 106 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2HG6 "Solution Nmr Structure Of Protein Pa1123 From Pseudomonas Aeruginosa. Northeast Structural Genomics Consortium Target Pat4; Ont" 100.00 128 100.00 100.00 1.01e-70 DBJ BAK88853 "hypothetical protein NCGM2_1994 [Pseudomonas aeruginosa NCGM2.S1]" 100.00 106 100.00 100.00 4.85e-70 DBJ BAP20595 "hypothetical protein NCGM1900_1473 [Pseudomonas aeruginosa]" 100.00 106 100.00 100.00 4.85e-70 DBJ BAP52175 "hypothetical protein NCGM1984_4213 [Pseudomonas aeruginosa]" 100.00 106 100.00 100.00 4.85e-70 DBJ GAA16659 "hypothetical protein NCGM1179_1482 [Pseudomonas aeruginosa NCMG1179]" 100.00 106 100.00 100.00 4.85e-70 DBJ GAJ52478 "lipoprotein, putative [Pseudomonas aeruginosa RB]" 100.00 106 100.00 100.00 4.85e-70 EMBL CAW28951 "hypothetical protein PLES_41961 [Pseudomonas aeruginosa LESB58]" 100.00 106 100.00 100.00 4.85e-70 EMBL CCQ87904 "hypothetical protein PA18A_4520 [Pseudomonas aeruginosa 18A]" 99.06 106 100.00 100.00 3.20e-69 EMBL CDH72324 "hypothetical protein P38_4105 [Pseudomonas aeruginosa MH38]" 100.00 106 100.00 100.00 4.85e-70 EMBL CDH78589 "hypothetical protein PAMH27_4203 [Pseudomonas aeruginosa MH27]" 100.00 106 100.00 100.00 4.85e-70 EMBL CDI89265 "hypothetical protein BN889_01199 [Pseudomonas aeruginosa PA38182]" 100.00 106 100.00 100.00 4.85e-70 GB AAG04512 "hypothetical protein PA1123 [Pseudomonas aeruginosa PAO1]" 100.00 106 100.00 100.00 4.85e-70 GB ABJ10291 "hypothetical protein PA14_49850 [Pseudomonas aeruginosa UCBPP-PA14]" 100.00 106 100.00 100.00 4.85e-70 GB ABR86109 "hypothetical protein PSPA7_4246 [Pseudomonas aeruginosa PA7]" 100.00 106 98.11 99.06 1.37e-68 GB AEO76390 "hypothetical protein PAM18_3909 [Pseudomonas aeruginosa M18]" 100.00 106 100.00 100.00 4.85e-70 GB AFM66282 "hypothetical protein PADK2_20055 [Pseudomonas aeruginosa DK2]" 100.00 106 100.00 100.00 4.85e-70 REF NP_249814 "hypothetical protein PA1123 [Pseudomonas aeruginosa PAO1]" 100.00 106 100.00 100.00 4.85e-70 REF WP_003082265 "MULTISPECIES: hypothetical protein [Pseudomonas]" 100.00 106 100.00 100.00 4.85e-70 REF WP_003157837 "hypothetical protein [Pseudomonas aeruginosa]" 100.00 106 98.11 99.06 1.37e-68 REF WP_003163119 "hypothetical protein [Pseudomonas aeruginosa]" 99.06 106 100.00 100.00 3.20e-69 REF WP_023129052 "hypothetical protein [Pseudomonas aeruginosa]" 100.00 106 99.06 99.06 1.86e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PA1123 'Pseudomonas aeruginosa' 287 Eubacteria . Pseudomonas aeruginosa 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 $PA1123 'recombinant technology' . . . . . 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 $PA1123 1 mM '[U-15N; U-13C]' Buffer 10 mM . Salt 400 mM . DTT 10 mM . NaN3 0.01 % . Benzamidine 1 mM . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version 3.95 _Details 'Used for Analysis and Assignments' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample_1 save_ save_1H13C-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C-HSQC _Sample_label $sample_1 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_CCTOCSY_NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'CCTOCSY NH' _Sample_label $sample_1 save_ save_HCCTOCSY_NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCTOCSY NH' _Sample_label $sample_1 save_ save_HC(C)H-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)H-TOCSY _Sample_label $sample_1 save_ save_HCC(H)-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCC(H)-TOCSY _Sample_label $sample_1 save_ save_15N-NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-NOESY _Sample_label $sample_1 save_ save_13C-NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-NOESY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 pH temperature 300 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 internal indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 internal indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name PA1123 _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 4.584 . 1 2 1 1 MET HB2 H 2.108 . 1 3 1 1 MET HB3 H 2.108 . 1 4 1 1 MET HG2 H 2.432 . 1 5 1 1 MET HG3 H 2.432 . 1 6 1 1 MET CA C 55.008 . 1 7 1 1 MET CB C 33.790 . 1 8 1 1 MET CG C 31.796 . 1 9 2 2 SER H H 8.517 . 1 10 2 2 SER HA H 4.742 . 1 11 2 2 SER HB2 H 3.824 . 1 12 2 2 SER HB3 H 3.824 . 1 13 2 2 SER C C 173.078 . 1 14 2 2 SER CA C 57.505 . 1 15 2 2 SER CB C 63.520 . 1 16 2 2 SER N N 117.600 . 1 17 3 3 ILE H H 8.169 . 1 18 3 3 ILE HA H 4.686 . 1 19 3 3 ILE HB H 1.972 . 1 20 3 3 ILE HG12 H 1.248 . 2 21 3 3 ILE HG13 H 1.542 . 2 22 3 3 ILE HG2 H 0.960 . 1 23 3 3 ILE HD1 H 0.822 . 1 24 3 3 ILE C C 174.780 . 1 25 3 3 ILE CA C 60.085 . 1 26 3 3 ILE CB C 39.902 . 1 27 3 3 ILE CG1 C 27.288 . 1 28 3 3 ILE CG2 C 18.310 . 1 29 3 3 ILE CD1 C 13.348 . 1 30 3 3 ILE N N 122.217 . 1 31 4 4 THR H H 9.338 . 1 32 4 4 THR HA H 5.193 . 1 33 4 4 THR HB H 4.772 . 1 34 4 4 THR HG2 H 1.331 . 1 35 4 4 THR CA C 59.800 . 1 36 4 4 THR CB C 72.337 . 1 37 4 4 THR CG2 C 21.502 . 1 38 4 4 THR N N 117.490 . 1 39 5 5 SER HA H 4.596 . 1 40 5 5 SER HB3 H 3.981 . 2 41 5 5 SER C C 174.825 . 1 42 5 5 SER CA C 58.395 . 1 43 5 5 SER CB C 63.880 . 1 44 6 6 THR H H 8.512 . 1 45 6 6 THR HA H 4.016 . 1 46 6 6 THR HB H 4.129 . 1 47 6 6 THR HG2 H 1.273 . 1 48 6 6 THR C C 175.199 . 1 49 6 6 THR CA C 66.838 . 1 50 6 6 THR CB C 68.125 . 1 51 6 6 THR CG2 C 21.817 . 1 52 6 6 THR N N 110.932 . 1 53 7 7 ASP H H 7.707 . 1 54 7 7 ASP HA H 4.331 . 1 55 7 7 ASP HB2 H 2.568 . 2 56 7 7 ASP HB3 H 3.152 . 2 57 7 7 ASP C C 178.745 . 1 58 7 7 ASP CA C 57.493 . 1 59 7 7 ASP CB C 41.107 . 1 60 7 7 ASP N N 122.046 . 1 61 8 8 ILE H H 7.671 . 1 62 8 8 ILE HA H 3.234 . 1 63 8 8 ILE HB H 1.557 . 1 64 8 8 ILE HG12 H 0.639 . 1 65 8 8 ILE HG13 H 0.639 . 1 66 8 8 ILE HG2 H 0.069 . 1 67 8 8 ILE HD1 H 0.351 . 1 68 8 8 ILE C C 176.224 . 1 69 8 8 ILE CA C 65.598 . 1 70 8 8 ILE CB C 37.749 . 1 71 8 8 ILE CG1 C 29.760 . 1 72 8 8 ILE CG2 C 18.308 . 1 73 8 8 ILE CD1 C 14.200 . 1 74 8 8 ILE N N 121.180 . 1 75 9 9 CYS H H 8.285 . 1 76 9 9 CYS HA H 4.054 . 1 77 9 9 CYS HB2 H 3.049 . 2 78 9 9 CYS HB3 H 3.239 . 2 79 9 9 CYS C C 176.437 . 1 80 9 9 CYS CA C 64.862 . 1 81 9 9 CYS CB C 26.800 . 1 82 9 9 CYS N N 118.400 . 1 83 10 10 GLN H H 8.441 . 1 84 10 10 GLN HA H 4.160 . 1 85 10 10 GLN HB2 H 2.118 . 1 86 10 10 GLN HB3 H 2.118 . 1 87 10 10 GLN HG2 H 2.482 . 2 88 10 10 GLN HG3 H 2.680 . 2 89 10 10 GLN HE21 H 7.432 . 2 90 10 10 GLN HE22 H 6.845 . 2 91 10 10 GLN C C 178.228 . 1 92 10 10 GLN CA C 58.781 . 1 93 10 10 GLN CB C 28.356 . 1 94 10 10 GLN CG C 34.543 . 1 95 10 10 GLN N N 117.809 . 1 96 10 10 GLN NE2 N 111.500 . 1 97 11 11 ALA H H 7.740 . 1 98 11 11 ALA HA H 4.224 . 1 99 11 11 ALA HB H 1.493 . 1 100 11 11 ALA C C 180.473 . 1 101 11 11 ALA CA C 54.390 . 1 102 11 11 ALA CB C 17.625 . 1 103 11 11 ALA N N 121.529 . 1 104 12 12 ALA H H 8.248 . 1 105 12 12 ALA HA H 3.994 . 1 106 12 12 ALA HB H 1.483 . 1 107 12 12 ALA C C 177.694 . 1 108 12 12 ALA CA C 55.100 . 1 109 12 12 ALA CB C 18.105 . 1 110 12 12 ALA N N 124.182 . 1 111 13 13 ASP H H 7.765 . 1 112 13 13 ASP HA H 4.630 . 1 113 13 13 ASP HB2 H 2.855 . 1 114 13 13 ASP HB3 H 2.855 . 1 115 13 13 ASP C C 175.831 . 1 116 13 13 ASP CA C 56.637 . 1 117 13 13 ASP CB C 40.735 . 1 118 13 13 ASP N N 115.587 . 1 119 14 14 ALA H H 7.331 . 1 120 14 14 ALA HA H 4.558 . 1 121 14 14 ALA HB H 1.548 . 1 122 14 14 ALA C C 176.936 . 1 123 14 14 ALA CA C 51.250 . 1 124 14 14 ALA CB C 19.125 . 1 125 14 14 ALA N N 119.823 . 1 126 15 15 LEU H H 7.195 . 1 127 15 15 LEU HA H 4.535 . 1 128 15 15 LEU HB2 H 1.573 . 1 129 15 15 LEU HB3 H 1.573 . 1 130 15 15 LEU HD1 H 0.831 . 2 131 15 15 LEU HD2 H 0.729 . 2 132 15 15 LEU C C 177.141 . 1 133 15 15 LEU CA C 55.983 . 1 134 15 15 LEU CB C 43.075 . 1 135 15 15 LEU CD1 C 27.241 . 1 136 15 15 LEU CD2 C 24.490 . 1 137 15 15 LEU N N 121.290 . 1 138 16 16 LYS H H 8.534 . 1 139 16 16 LYS HA H 4.772 . 1 140 16 16 LYS HB2 H 2.138 . 1 141 16 16 LYS HB3 H 2.138 . 1 142 16 16 LYS HG2 H 1.610 . 2 143 16 16 LYS HG3 H 1.708 . 2 144 16 16 LYS HD2 H 1.800 . 1 145 16 16 LYS HD3 H 1.800 . 1 146 16 16 LYS HE2 H 3.120 . 1 147 16 16 LYS HE3 H 3.120 . 1 148 16 16 LYS C C 176.633 . 1 149 16 16 LYS CA C 54.745 . 1 150 16 16 LYS CB C 36.142 . 1 151 16 16 LYS CG C 25.430 . 1 152 16 16 LYS CD C 28.930 . 1 153 16 16 LYS CE C 42.091 . 1 154 16 16 LYS N N 121.892 . 1 155 17 17 GLY H H 8.307 . 1 156 17 17 GLY HA2 H 3.723 . 2 157 17 17 GLY HA3 H 3.557 . 2 158 17 17 GLY C C 176.633 . 1 159 17 17 GLY CA C 44.917 . 1 160 17 17 GLY N N 105.019 . 1 161 18 18 PHE H H 8.481 . 1 162 18 18 PHE HA H 5.073 . 1 163 18 18 PHE HB2 H 2.730 . 2 164 18 18 PHE HB3 H 2.903 . 2 165 18 18 PHE HD1 H 6.815 . 1 166 18 18 PHE HD2 H 6.815 . 1 167 18 18 PHE HE1 H 7.430 . 1 168 18 18 PHE HE2 H 7.430 . 1 169 18 18 PHE C C 172.232 . 1 170 18 18 PHE CA C 57.031 . 1 171 18 18 PHE CB C 44.105 . 1 172 18 18 PHE CD1 C 131.100 . 1 173 18 18 PHE CE1 C 131.000 . 1 174 18 18 PHE N N 117.516 . 1 175 19 19 VAL H H 9.361 . 1 176 19 19 VAL HA H 5.295 . 1 177 19 19 VAL HB H 1.376 . 1 178 19 19 VAL HG1 H 0.471 . 2 179 19 19 VAL HG2 H 0.160 . 2 180 19 19 VAL C C 173.185 . 1 181 19 19 VAL CA C 59.129 . 1 182 19 19 VAL CB C 34.714 . 1 183 19 19 VAL CG1 C 20.982 . 1 184 19 19 VAL CG2 C 21.610 . 1 185 19 19 VAL N N 120.618 . 1 186 20 20 GLY H H 8.796 . 1 187 20 20 GLY HA2 H 4.483 . 1 188 20 20 GLY HA3 H 4.483 . 1 189 20 20 GLY CA C 43.709 . 1 190 20 20 GLY N N 110.707 . 1 191 21 21 PHE H H 8.611 . 1 192 21 21 PHE HA H 4.481 . 1 193 21 21 PHE HB2 H 2.854 . 2 194 21 21 PHE HB3 H 2.712 . 2 195 21 21 PHE HD1 H 7.025 . 1 196 21 21 PHE HD2 H 7.025 . 1 197 21 21 PHE HE1 H 6.140 . 1 198 21 21 PHE HE2 H 6.140 . 1 199 21 21 PHE C C 172.464 . 1 200 21 21 PHE CA C 56.999 . 1 201 21 21 PHE CB C 41.320 . 1 202 21 21 PHE CD1 C 132.900 . 1 203 21 21 PHE CE1 C 131.000 . 1 204 21 21 PHE N N 121.000 . 1 205 22 22 ASN H H 8.204 . 1 206 22 22 ASN HA H 4.483 . 1 207 22 22 ASN HB2 H 2.003 . 2 208 22 22 ASN HB3 H 3.223 . 2 209 22 22 ASN C C 173.488 . 1 210 22 22 ASN CA C 52.104 . 1 211 22 22 ASN CB C 38.650 . 1 212 22 22 ASN N N 127.133 . 1 213 23 23 ARG H H 8.223 . 1 214 23 23 ARG HA H 3.899 . 1 215 23 23 ARG HB2 H 1.993 . 1 216 23 23 ARG HB3 H 1.993 . 1 217 23 23 ARG HG2 H 1.914 . 1 218 23 23 ARG HG3 H 1.914 . 1 219 23 23 ARG HD2 H 3.327 . 1 220 23 23 ARG HD3 H 3.327 . 1 221 23 23 ARG C C 176.892 . 1 222 23 23 ARG CA C 57.596 . 1 223 23 23 ARG CB C 30.343 . 1 224 23 23 ARG CG C 27.190 . 1 225 23 23 ARG CD C 43.593 . 1 226 23 23 ARG N N 123.785 . 1 227 24 24 LYS H H 8.398 . 1 228 24 24 LYS HA H 4.201 . 1 229 24 24 LYS HB2 H 1.904 . 2 230 24 24 LYS HB3 H 2.030 . 2 231 24 24 LYS HG2 H 1.332 . 2 232 24 24 LYS HG3 H 1.454 . 2 233 24 24 LYS HD2 H 1.692 . 1 234 24 24 LYS HD3 H 1.692 . 1 235 24 24 LYS HE2 H 2.997 . 1 236 24 24 LYS HE3 H 2.997 . 1 237 24 24 LYS C C 177.792 . 1 238 24 24 LYS CA C 58.316 . 1 239 24 24 LYS CB C 36.273 . 1 240 24 24 LYS CG C 25.130 . 1 241 24 24 LYS CD C 29.096 . 1 242 24 24 LYS CE C 41.700 . 1 243 24 24 LYS N N 120.215 . 1 244 25 25 THR H H 7.619 . 1 245 25 25 THR HA H 4.238 . 1 246 25 25 THR HB H 4.213 . 1 247 25 25 THR HG2 H 1.103 . 1 248 25 25 THR C C 175.885 . 1 249 25 25 THR CA C 61.059 . 1 250 25 25 THR CB C 69.422 . 1 251 25 25 THR CG2 C 21.676 . 1 252 25 25 THR N N 107.774 . 1 253 26 26 GLY H H 8.119 . 1 254 26 26 GLY HA2 H 3.545 . 2 255 26 26 GLY HA3 H 3.907 . 2 256 26 26 GLY C C 172.963 . 1 257 26 26 GLY CA C 46.505 . 1 258 26 26 GLY N N 112.183 . 1 259 27 27 ARG H H 6.922 . 1 260 27 27 ARG HA H 4.697 . 1 261 27 27 ARG HB2 H 1.512 . 2 262 27 27 ARG HB3 H 1.922 . 2 263 27 27 ARG HG2 H 1.538 . 1 264 27 27 ARG HG3 H 1.538 . 1 265 27 27 ARG HD2 H 3.227 . 1 266 27 27 ARG HD3 H 3.227 . 1 267 27 27 ARG C C 174.210 . 1 268 27 27 ARG CA C 53.536 . 1 269 27 27 ARG CB C 33.491 . 1 270 27 27 ARG CG C 26.600 . 1 271 27 27 ARG CD C 43.393 . 1 272 27 27 ARG N N 117.241 . 1 273 28 28 TYR H H 8.814 . 1 274 28 28 TYR HA H 5.050 . 1 275 28 28 TYR HB2 H 2.742 . 2 276 28 28 TYR HB3 H 2.591 . 2 277 28 28 TYR HD1 H 7.281 . 1 278 28 28 TYR HD2 H 7.281 . 1 279 28 28 TYR HE1 H 7.032 . 1 280 28 28 TYR HE2 H 7.032 . 1 281 28 28 TYR C C 175.047 . 1 282 28 28 TYR CA C 58.736 . 1 283 28 28 TYR CB C 38.956 . 1 284 28 28 TYR CD1 C 133.615 . 1 285 28 28 TYR CE1 C 118.208 . 1 286 28 28 TYR N N 119.714 . 1 287 29 29 ILE H H 9.117 . 1 288 29 29 ILE HA H 4.705 . 1 289 29 29 ILE HB H 1.921 . 1 290 29 29 ILE HG12 H 1.231 . 2 291 29 29 ILE HG13 H 1.502 . 2 292 29 29 ILE HG2 H 1.003 . 1 293 29 29 ILE HD1 H 0.924 . 1 294 29 29 ILE C C 173.453 . 1 295 29 29 ILE CA C 59.040 . 1 296 29 29 ILE CB C 41.391 . 1 297 29 29 ILE CG1 C 26.422 . 1 298 29 29 ILE CG2 C 18.209 . 1 299 29 29 ILE CD1 C 13.684 . 1 300 29 29 ILE N N 119.040 . 1 301 30 30 VAL H H 8.294 . 1 302 30 30 VAL HA H 5.361 . 1 303 30 30 VAL HB H 1.817 . 1 304 30 30 VAL HG1 H 0.829 . 2 305 30 30 VAL HG2 H 0.639 . 2 306 30 30 VAL C C 176.027 . 1 307 30 30 VAL CA C 60.015 . 1 308 30 30 VAL CB C 33.889 . 1 309 30 30 VAL CG1 C 21.640 . 1 310 30 30 VAL CG2 C 22.008 . 1 311 30 30 VAL N N 122.045 . 1 312 31 31 ARG H H 8.652 . 1 313 31 31 ARG HA H 4.448 . 1 314 31 31 ARG HB2 H 1.550 . 1 315 31 31 ARG HB3 H 1.550 . 1 316 31 31 ARG HD2 H 2.767 . 1 317 31 31 ARG HD3 H 2.767 . 1 318 31 31 ARG C C 174.406 . 1 319 31 31 ARG CA C 52.466 . 1 320 31 31 ARG CB C 34.640 . 1 321 31 31 ARG CD C 42.567 . 1 322 31 31 ARG N N 124.865 . 1 323 32 32 PHE H H 8.997 . 1 324 32 32 PHE HA H 4.665 . 1 325 32 32 PHE HB2 H 2.838 . 2 326 32 32 PHE HB3 H 3.591 . 2 327 32 32 PHE HD1 H 7.350 . 1 328 32 32 PHE HD2 H 7.350 . 1 329 32 32 PHE HE1 H 6.920 . 1 330 32 32 PHE HE2 H 6.920 . 1 331 32 32 PHE C C 174.067 . 1 332 32 32 PHE CA C 59.080 . 1 333 32 32 PHE CB C 38.690 . 1 334 32 32 PHE CD1 C 131.600 . 1 335 32 32 PHE CE1 C 129.000 . 1 336 32 32 PHE N N 116.375 . 1 337 33 33 SER H H 7.362 . 1 338 33 33 SER HA H 4.752 . 1 339 33 33 SER HB2 H 4.002 . 1 340 33 33 SER HB3 H 4.002 . 1 341 33 33 SER C C 173.515 . 1 342 33 33 SER CA C 57.070 . 1 343 33 33 SER CB C 64.682 . 1 344 33 33 SER N N 112.915 . 1 345 34 34 GLU H H 9.221 . 1 346 34 34 GLU HA H 3.522 . 1 347 34 34 GLU HB2 H 1.587 . 1 348 34 34 GLU HB3 H 1.587 . 1 349 34 34 GLU HG2 H 1.372 . 2 350 34 34 GLU HG3 H 1.724 . 2 351 34 34 GLU C C 175.627 . 1 352 34 34 GLU CA C 59.166 . 1 353 34 34 GLU CB C 29.148 . 1 354 34 34 GLU CG C 36.370 . 1 355 34 34 GLU N N 123.780 . 1 356 35 35 ASP H H 8.078 . 1 357 35 35 ASP HA H 4.760 . 1 358 35 35 ASP HB2 H 2.660 . 2 359 35 35 ASP HB3 H 2.883 . 2 360 35 35 ASP C C 176.526 . 1 361 35 35 ASP CA C 53.690 . 1 362 35 35 ASP CB C 40.513 . 1 363 35 35 ASP N N 115.251 . 1 364 36 36 SER H H 7.165 . 1 365 36 36 SER HA H 4.640 . 1 366 36 36 SER HB2 H 3.823 . 1 367 36 36 SER HB3 H 3.823 . 1 368 36 36 SER C C 173.880 . 1 369 36 36 SER CA C 58.209 . 1 370 36 36 SER CB C 63.680 . 1 371 36 36 SER N N 112.019 . 1 372 37 37 PHE H H 7.981 . 1 373 37 37 PHE HA H 4.239 . 1 374 37 37 PHE HB2 H 2.907 . 2 375 37 37 PHE HB3 H 3.080 . 2 376 37 37 PHE HD1 H 7.240 . 1 377 37 37 PHE HD2 H 7.240 . 1 378 37 37 PHE C C 176.045 . 1 379 37 37 PHE CA C 60.096 . 1 380 37 37 PHE CB C 39.691 . 1 381 37 37 PHE CD1 C 131.80 . 1 382 37 37 PHE N N 119.904 . 1 383 38 38 GLY H H 8.641 . 1 384 38 38 GLY HA2 H 4.125 . 1 385 38 38 GLY HA3 H 4.125 . 1 386 38 38 GLY C C 174.335 . 1 387 38 38 GLY CA C 44.395 . 1 388 38 38 GLY N N 108.953 . 1 389 39 39 MET H H 8.361 . 1 390 39 39 MET HA H 4.310 . 1 391 39 39 MET HB2 H 2.109 . 1 392 39 39 MET HB3 H 2.109 . 1 393 39 39 MET HG2 H 2.645 . 1 394 39 39 MET HG3 H 2.645 . 1 395 39 39 MET C C 176.437 . 1 396 39 39 MET CA C 57.078 . 1 397 39 39 MET CB C 32.700 . 1 398 39 39 MET CG C 31.810 . 1 399 39 39 MET N N 116.246 . 1 400 40 40 ASP H H 8.558 . 1 401 40 40 ASP HA H 4.675 . 1 402 40 40 ASP HB2 H 2.928 . 2 403 40 40 ASP HB3 H 2.676 . 2 404 40 40 ASP C C 174.050 . 1 405 40 40 ASP CA C 55.390 . 1 406 40 40 ASP CB C 40.906 . 1 407 40 40 ASP N N 117.366 . 1 408 41 41 VAL H H 7.269 . 1 409 41 41 VAL HA H 4.522 . 1 410 41 41 VAL HB H 1.989 . 1 411 41 41 VAL HG1 H 0.482 . 2 412 41 41 VAL HG2 H 0.839 . 2 413 41 41 VAL C C 174.834 . 1 414 41 41 VAL CA C 60.184 . 1 415 41 41 VAL CB C 32.980 . 1 416 41 41 VAL CG1 C 20.405 . 1 417 41 41 VAL CG2 C 21.757 . 1 418 41 41 VAL N N 120.138 . 1 419 42 42 ALA H H 8.780 . 1 420 42 42 ALA HA H 4.429 . 1 421 42 42 ALA HB H 1.598 . 1 422 42 42 ALA C C 179.119 . 1 423 42 42 ALA CA C 52.100 . 1 424 42 42 ALA CB C 18.805 . 1 425 42 42 ALA N N 130.181 . 1 426 43 43 ASP H H 9.131 . 1 427 43 43 ASP HA H 4.253 . 1 428 43 43 ASP HB2 H 2.724 . 1 429 43 43 ASP HB3 H 2.724 . 1 430 43 43 ASP C C 176.918 . 1 431 43 43 ASP CA C 57.076 . 1 432 43 43 ASP CB C 40.357 . 1 433 43 43 ASP N N 128.059 . 1 434 44 44 ASP H H 8.494 . 1 435 44 44 ASP HA H 4.526 . 1 436 44 44 ASP HB2 H 2.718 . 2 437 44 44 ASP HB3 H 2.860 . 2 438 44 44 ASP C C 175.751 . 1 439 44 44 ASP CA C 54.467 . 1 440 44 44 ASP CB C 39.509 . 1 441 44 44 ASP N N 115.682 . 1 442 45 45 SER H H 8.044 . 1 443 45 45 SER HA H 4.602 . 1 444 45 45 SER HB2 H 4.069 . 1 445 45 45 SER HB3 H 4.069 . 1 446 45 45 SER C C 173.711 . 1 447 45 45 SER CA C 58.505 . 1 448 45 45 SER CB C 65.120 . 1 449 45 45 SER N N 114.692 . 1 450 46 46 ILE H H 7.026 . 1 451 46 46 ILE HA H 4.521 . 1 452 46 46 ILE HB H 1.623 . 1 453 46 46 ILE HG12 H -0.388 . 2 454 46 46 ILE HG13 H 1.380 . 2 455 46 46 ILE HG2 H 0.666 . 1 456 46 46 ILE HD1 H 0.687 . 1 457 46 46 ILE C C 176.259 . 1 458 46 46 ILE CA C 61.980 . 1 459 46 46 ILE CB C 38.091 . 1 460 46 46 ILE CG1 C 27.602 . 1 461 46 46 ILE CG2 C 17.867 . 1 462 46 46 ILE CD1 C 14.407 . 1 463 46 46 ILE N N 124.356 . 1 464 47 47 THR H H 9.232 . 1 465 47 47 THR HA H 5.286 . 1 466 47 47 THR HB H 4.148 . 1 467 47 47 THR HG2 H 1.483 . 1 468 47 47 THR CA C 58.534 . 1 469 47 47 THR CB C 72.790 . 1 470 47 47 THR CG2 C 20.070 . 1 471 47 47 THR N N 125.231 . 1 472 48 48 PRO HA H 4.626 . 1 473 48 48 PRO HB2 H 1.827 . 2 474 48 48 PRO HB3 H 2.429 . 2 475 48 48 PRO HD2 H 4.252 . 2 476 48 48 PRO HD3 H 3.895 . 2 477 48 48 PRO C C 177.970 . 1 478 48 48 PRO CA C 63.050 . 1 479 48 48 PRO CB C 32.060 . 1 480 48 48 PRO CD C 51.683 . 1 481 49 49 THR H H 8.783 . 1 482 49 49 THR HB H 3.702 . 1 483 49 49 THR HG2 H 1.125 . 1 484 49 49 THR C C 174.673 . 1 485 49 49 THR CA C 63.126 . 1 486 49 49 THR CB C 66.620 . 1 487 49 49 THR CG2 C 25.352 . 1 488 49 49 THR N N 124.056 . 1 489 50 50 SER H H 8.150 . 1 490 50 50 SER HA H 4.250 . 1 491 50 50 SER HB2 H 4.013 . 1 492 50 50 SER HB3 H 4.013 . 1 493 50 50 SER C C 173.889 . 1 494 50 50 SER CA C 60.510 . 1 495 50 50 SER CB C 62.757 . 1 496 50 50 SER N N 110.540 . 1 497 51 51 GLU H H 7.392 . 1 498 51 51 GLU HA H 4.717 . 1 499 51 51 GLU HB2 H 2.279 . 1 500 51 51 GLU HB3 H 2.279 . 1 501 51 51 GLU HG2 H 2.437 . 1 502 51 51 GLU HG3 H 2.437 . 1 503 51 51 GLU C C 177.515 . 1 504 51 51 GLU CA C 57.216 . 1 505 51 51 GLU CB C 31.424 . 1 506 51 51 GLU CG C 35.953 . 1 507 51 51 GLU N N 117.751 . 1 508 52 52 PHE H H 8.392 . 1 509 52 52 PHE HA H 4.344 . 1 510 52 52 PHE HB2 H 3.104 . 2 511 52 52 PHE HB3 H 3.201 . 2 512 52 52 PHE HD1 H 6.984 . 1 513 52 52 PHE HD2 H 6.984 . 1 514 52 52 PHE C C 174.798 . 1 515 52 52 PHE CA C 59.920 . 1 516 52 52 PHE CB C 41.000 . 1 517 52 52 PHE CD1 C 131.100 . 1 518 52 52 PHE N N 121.359 . 1 519 53 53 VAL H H 6.745 . 1 520 53 53 VAL HA H 3.514 . 1 521 53 53 VAL HB H 2.072 . 1 522 53 53 VAL HG1 H 0.886 . 2 523 53 53 VAL HG2 H 0.395 . 2 524 53 53 VAL C C 172.250 . 1 525 53 53 VAL CA C 61.778 . 1 526 53 53 VAL CB C 30.428 . 1 527 53 53 VAL CG1 C 23.095 . 1 528 53 53 VAL CG2 C 18.057 . 1 529 53 53 VAL N N 101.999 . 1 530 54 54 TRP H H 7.314 . 1 531 54 54 TRP HA H 5.322 . 1 532 54 54 TRP HB2 H 2.963 . 1 533 54 54 TRP HB3 H 2.963 . 1 534 54 54 TRP HD1 H 7.464 . 1 535 54 54 TRP HE1 H 10.204 . 1 536 54 54 TRP HE3 H 7.032 . 1 537 54 54 TRP HZ2 H 7.198 . 1 538 54 54 TRP HZ3 H 6.684 . 1 539 54 54 TRP HH2 H 6.962 . 1 540 54 54 TRP C C 175.386 . 1 541 54 54 TRP CA C 55.298 . 1 542 54 54 TRP CB C 31.965 . 1 543 54 54 TRP CD1 C 130.105 . 1 544 54 54 TRP CE3 C 119.835 . 1 545 54 54 TRP CZ2 C 113.873 . 1 546 54 54 TRP CZ3 C 121.731 . 1 547 54 54 TRP CH2 C 123.407 . 1 548 54 54 TRP N N 121.000 . 1 549 54 54 TRP NE1 N 130.241 . 1 550 55 55 SER H H 9.267 . 1 551 55 55 SER HA H 4.902 . 1 552 55 55 SER HB2 H 3.824 . 2 553 55 55 SER HB3 H 3.612 . 2 554 55 55 SER C C 174.085 . 1 555 55 55 SER CA C 56.744 . 1 556 55 55 SER CB C 65.199 . 1 557 55 55 SER N N 116.137 . 1 558 56 56 SER H H 9.104 . 1 559 56 56 SER HA H 4.467 . 1 560 56 56 SER HB2 H 3.840 . 2 561 56 56 SER HB3 H 3.907 . 2 562 56 56 SER C C 174.317 . 1 563 56 56 SER CA C 60.195 . 1 564 56 56 SER CB C 63.210 . 1 565 56 56 SER N N 120.275 . 1 566 57 57 VAL H H 8.692 . 1 567 57 57 VAL HA H 4.159 . 1 568 57 57 VAL HB H 1.848 . 1 569 57 57 VAL HG1 H 0.975 . 2 570 57 57 VAL HG2 H 0.975 . 2 571 57 57 VAL C C 174.771 . 1 572 57 57 VAL CA C 64.030 . 1 573 57 57 VAL CB C 33.091 . 1 574 57 57 VAL CG1 C 21.150 . 1 575 57 57 VAL CG2 C 21.780 . 1 576 57 57 VAL N N 126.766 . 1 577 58 58 ARG H H 7.553 . 1 578 58 58 ARG HA H 4.488 . 1 579 58 58 ARG HB2 H 2.042 . 2 580 58 58 ARG HB3 H 1.784 . 2 581 58 58 ARG HG2 H 1.548 . 1 582 58 58 ARG HG3 H 1.548 . 1 583 58 58 ARG HD2 H 3.229 . 1 584 58 58 ARG HD3 H 3.229 . 1 585 58 58 ARG C C 173.640 . 1 586 58 58 ARG CA C 55.231 . 1 587 58 58 ARG CB C 31.455 . 1 588 58 58 ARG CG C 26.210 . 1 589 58 58 ARG CD C 42.992 . 1 590 58 58 ARG N N 115.040 . 1 591 59 59 ASP H H 9.166 . 1 592 59 59 ASP HA H 4.275 . 1 593 59 59 ASP HB2 H 2.841 . 1 594 59 59 ASP HB3 H 2.841 . 1 595 59 59 ASP C C 174.584 . 1 596 59 59 ASP CA C 56.653 . 1 597 59 59 ASP CB C 39.505 . 1 598 59 59 ASP N N 122.481 . 1 599 60 60 ASP H H 8.707 . 1 600 60 60 ASP HA H 4.691 . 1 601 60 60 ASP HB2 H 3.060 . 2 602 60 60 ASP HB3 H 2.734 . 2 603 60 60 ASP C C 170.308 . 1 604 60 60 ASP CA C 53.587 . 1 605 60 60 ASP CB C 39.920 . 1 606 60 60 ASP N N 121.110 . 1 607 61 61 VAL H H 8.602 . 1 608 61 61 VAL HA H 4.340 . 1 609 61 61 VAL HB H 2.192 . 1 610 61 61 VAL HG1 H 0.929 . 2 611 61 61 VAL HG2 H 1.018 . 2 612 61 61 VAL C C 175.252 . 1 613 61 61 VAL CA C 62.589 . 1 614 61 61 VAL CB C 32.900 . 1 615 61 61 VAL CG1 C 21.405 . 1 616 61 61 VAL CG2 C 21.877 . 1 617 61 61 VAL N N 120.786 . 1 618 62 62 MET H H 9.158 . 1 619 62 62 MET HA H 5.409 . 1 620 62 62 MET HB2 H 1.809 . 2 621 62 62 MET HB3 H 2.230 . 2 622 62 62 MET HG2 H 2.370 . 2 623 62 62 MET HG3 H 2.522 . 2 624 62 62 MET C C 172.749 . 1 625 62 62 MET CA C 54.027 . 1 626 62 62 MET CB C 37.290 . 1 627 62 62 MET CG C 32.551 . 1 628 62 62 MET N N 126.912 . 1 629 63 63 ARG H H 9.647 . 1 630 63 63 ARG HA H 5.664 . 1 631 63 63 ARG HB2 H 1.552 . 2 632 63 63 ARG HB3 H 1.637 . 2 633 63 63 ARG HG2 H 1.421 . 1 634 63 63 ARG HG3 H 1.421 . 1 635 63 63 ARG HD2 H 3.459 . 2 636 63 63 ARG HD3 H 3.041 . 2 637 63 63 ARG C C 173.854 . 1 638 63 63 ARG CA C 53.291 . 1 639 63 63 ARG CB C 33.629 . 1 640 63 63 ARG CG C 26.904 . 1 641 63 63 ARG CD C 42.994 . 1 642 63 63 ARG N N 119.840 . 1 643 64 64 LEU H H 8.325 . 1 644 64 64 LEU HA H 3.761 . 1 645 64 64 LEU HB2 H 1.274 . 1 646 64 64 LEU HB3 H 1.274 . 1 647 64 64 LEU HG H 0.596 . 1 648 64 64 LEU HD1 H -0.152 . 2 649 64 64 LEU HD2 H -0.433 . 2 650 64 64 LEU C C 175.725 . 1 651 64 64 LEU CA C 53.493 . 1 652 64 64 LEU CB C 39.150 . 1 653 64 64 LEU CG C 26.953 . 1 654 64 64 LEU CD1 C 26.138 . 1 655 64 64 LEU CD2 C 22.771 . 1 656 64 64 LEU N N 128.986 . 1 657 65 65 GLY H H 8.795 . 1 658 65 65 GLY HA2 H 3.795 . 2 659 65 65 GLY HA3 H 4.085 . 2 660 65 65 GLY C C 173.675 . 1 661 65 65 GLY CA C 46.808 . 1 662 65 65 GLY N N 118.969 . 1 663 66 66 ARG H H 9.166 . 1 664 66 66 ARG HA H 3.810 . 1 665 66 66 ARG HB2 H 1.782 . 1 666 66 66 ARG HB3 H 1.782 . 1 667 66 66 ARG HG2 H 1.850 . 2 668 66 66 ARG HG3 H 0.893 . 2 669 66 66 ARG HD2 H 3.015 . 2 670 66 66 ARG HD3 H 3.268 . 2 671 66 66 ARG C C 177.738 . 1 672 66 66 ARG CA C 60.812 . 1 673 66 66 ARG CB C 29.028 . 1 674 66 66 ARG CG C 32.690 . 1 675 66 66 ARG CD C 42.700 . 1 676 66 66 ARG N N 127.386 . 1 677 67 67 GLU H H 9.266 . 1 678 67 67 GLU HA H 3.962 . 1 679 67 67 GLU HB2 H 1.882 . 2 680 67 67 GLU HB3 H 2.016 . 2 681 67 67 GLU HG2 H 2.205 . 2 682 67 67 GLU HG3 H 2.324 . 2 683 67 67 GLU C C 178.175 . 1 684 67 67 GLU CA C 59.782 . 1 685 67 67 GLU CB C 28.749 . 1 686 67 67 GLU CG C 36.128 . 1 687 67 67 GLU N N 120.058 . 1 688 68 68 GLN H H 7.670 . 1 689 68 68 GLN HA H 3.808 . 1 690 68 68 GLN HB2 H 1.883 . 1 691 68 68 GLN HB3 H 1.883 . 1 692 68 68 GLN HG2 H 1.375 . 2 693 68 68 GLN HG3 H 1.809 . 2 694 68 68 GLN C C 177.373 . 1 695 68 68 GLN CA C 60.442 . 1 696 68 68 GLN CB C 28.939 . 1 697 68 68 GLN CG C 34.530 . 1 698 68 68 GLN N N 118.339 . 1 699 69 69 LEU H H 7.510 . 1 700 69 69 LEU HA H 3.905 . 1 701 69 69 LEU HB2 H 2.037 . 1 702 69 69 LEU HB3 H 2.037 . 1 703 69 69 LEU HG H 1.750 . 1 704 69 69 LEU HD1 H 0.921 . 2 705 69 69 LEU HD2 H 0.921 . 2 706 69 69 LEU C C 177.400 . 1 707 69 69 LEU CA C 57.883 . 1 708 69 69 LEU CB C 42.750 . 1 709 69 69 LEU CG C 27.218 . 1 710 69 69 LEU CD1 C 26.712 . 1 711 69 69 LEU N N 118.377 . 1 712 70 70 GLN H H 8.550 . 1 713 70 70 GLN HA H 3.935 . 1 714 70 70 GLN HB2 H 2.163 . 2 715 70 70 GLN HB3 H 2.304 . 2 716 70 70 GLN HG2 H 2.433 . 1 717 70 70 GLN HG3 H 2.433 . 1 718 70 70 GLN HE21 H 6.721 . 2 719 70 70 GLN HE22 H 7.789 . 2 720 70 70 GLN C C 177.426 . 1 721 70 70 GLN CA C 58.902 . 1 722 70 70 GLN CB C 27.474 . 1 723 70 70 GLN CG C 33.053 . 1 724 70 70 GLN N N 119.956 . 1 725 70 70 GLN NE2 N 111.900 . 1 726 71 71 ILE H H 7.479 . 1 727 71 71 ILE HA H 3.801 . 1 728 71 71 ILE HB H 2.199 . 1 729 71 71 ILE HG12 H 1.311 . 2 730 71 71 ILE HG13 H 1.914 . 2 731 71 71 ILE HG2 H 0.862 . 1 732 71 71 ILE HD1 H 0.963 . 1 733 71 71 ILE C C 178.371 . 1 734 71 71 ILE CA C 65.045 . 1 735 71 71 ILE CB C 38.210 . 1 736 71 71 ILE CG1 C 29.550 . 1 737 71 71 ILE CG2 C 16.753 . 1 738 71 71 ILE CD1 C 14.200 . 1 739 71 71 ILE N N 119.681 . 1 740 72 72 LEU H H 7.513 . 1 741 72 72 LEU HA H 4.006 . 1 742 72 72 LEU HB2 H 1.342 . 2 743 72 72 LEU HB3 H 2.199 . 2 744 72 72 LEU HG H 0.882 . 1 745 72 72 LEU HD1 H 0.677 . 2 746 72 72 LEU HD2 H 0.677 . 2 747 72 72 LEU C C 179.520 . 1 748 72 72 LEU CA C 56.839 . 1 749 72 72 LEU CB C 40.550 . 1 750 72 72 LEU CG C 27.920 . 1 751 72 72 LEU CD1 C 21.705 . 1 752 72 72 LEU N N 116.903 . 1 753 73 73 LEU H H 8.559 . 1 754 73 73 LEU HA H 3.958 . 1 755 73 73 LEU HB2 H 1.913 . 1 756 73 73 LEU HB3 H 1.913 . 1 757 73 73 LEU HG H 1.723 . 1 758 73 73 LEU HD1 H 0.917 . 2 759 73 73 LEU HD2 H 0.955 . 2 760 73 73 LEU C C 179.297 . 1 761 73 73 LEU CA C 58.213 . 1 762 73 73 LEU CB C 42.050 . 1 763 73 73 LEU CG C 27.432 . 1 764 73 73 LEU CD1 C 25.352 . 1 765 73 73 LEU CD2 C 25.015 . 1 766 73 73 LEU N N 123.738 . 1 767 74 74 GLU H H 7.979 . 1 768 74 74 GLU HA H 4.137 . 1 769 74 74 GLU HB2 H 2.232 . 1 770 74 74 GLU HB3 H 2.232 . 1 771 74 74 GLU HG2 H 2.453 . 2 772 74 74 GLU HG3 H 2.654 . 2 773 74 74 GLU C C 176.491 . 1 774 74 74 GLU CA C 57.478 . 1 775 74 74 GLU CB C 29.340 . 1 776 74 74 GLU CG C 36.593 . 1 777 74 74 GLU N N 116.762 . 1 778 75 75 GLN H H 7.532 . 1 779 75 75 GLN HA H 4.185 . 1 780 75 75 GLN HB2 H 2.472 . 2 781 75 75 GLN HB3 H 2.162 . 2 782 75 75 GLN C C 175.110 . 1 783 75 75 GLN CA C 55.533 . 1 784 75 75 GLN CB C 27.949 . 1 785 75 75 GLN N N 115.013 . 1 786 76 76 ASN H H 8.034 . 1 787 76 76 ASN HA H 4.626 . 1 788 76 76 ASN HB2 H 2.754 . 2 789 76 76 ASN HB3 H 3.262 . 2 790 76 76 ASN HD21 H 7.510 . 2 791 76 76 ASN HD22 H 6.828 . 2 792 76 76 ASN C C 174.174 . 1 793 76 76 ASN CA C 54.083 . 1 794 76 76 ASN CB C 37.207 . 1 795 76 76 ASN N N 114.939 . 1 796 76 76 ASN ND2 N 111.900 . 1 797 77 77 ILE H H 9.404 . 1 798 77 77 ILE HA H 4.834 . 1 799 77 77 ILE HB H 2.126 . 1 800 77 77 ILE HG2 H 1.064 . 1 801 77 77 ILE HD1 H 1.075 . 1 802 77 77 ILE C C 175.831 . 1 803 77 77 ILE CA C 59.759 . 1 804 77 77 ILE CB C 38.878 . 1 805 77 77 ILE CG2 C 18.799 . 1 806 77 77 ILE CD1 C 14.620 . 1 807 77 77 ILE N N 116.902 . 1 808 78 78 ASN H H 8.637 . 1 809 78 78 ASN HA H 4.098 . 1 810 78 78 ASN HB2 H 2.950 . 1 811 78 78 ASN HB3 H 2.950 . 1 812 78 78 ASN C C 177.150 . 1 813 78 78 ASN CA C 56.703 . 1 814 78 78 ASN CB C 37.207 . 1 815 78 78 ASN N N 120.600 . 1 816 79 79 GLU H H 8.889 . 1 817 79 79 GLU HA H 4.214 . 1 818 79 79 GLU HB2 H 2.106 . 1 819 79 79 GLU HB3 H 2.106 . 1 820 79 79 GLU HG2 H 2.299 . 2 821 79 79 GLU HG3 H 2.345 . 2 822 79 79 GLU C C 178.353 . 1 823 79 79 GLU CA C 59.100 . 1 824 79 79 GLU CB C 28.656 . 1 825 79 79 GLU CG C 36.563 . 1 826 79 79 GLU N N 117.402 . 1 827 80 80 ARG H H 7.755 . 1 828 80 80 ARG HA H 4.024 . 1 829 80 80 ARG HB2 H 1.629 . 2 830 80 80 ARG HB3 H 1.732 . 2 831 80 80 ARG HG2 H 1.354 . 2 832 80 80 ARG HG3 H 1.640 . 2 833 80 80 ARG HD2 H 3.031 . 2 834 80 80 ARG HD3 H 2.834 . 2 835 80 80 ARG C C 177.319 . 1 836 80 80 ARG CA C 58.716 . 1 837 80 80 ARG CB C 30.591 . 1 838 80 80 ARG CG C 27.270 . 1 839 80 80 ARG CD C 43.193 . 1 840 80 80 ARG N N 120.309 . 1 841 81 81 LEU H H 7.998 . 1 842 81 81 LEU HA H 4.269 . 1 843 81 81 LEU HB2 H 1.467 . 2 844 81 81 LEU HB3 H 1.860 . 2 845 81 81 LEU HD1 H 1.101 . 2 846 81 81 LEU HD2 H 1.034 . 2 847 81 81 LEU C C 175.698 . 1 848 81 81 LEU CA C 56.463 . 1 849 81 81 LEU CB C 44.508 . 1 850 81 81 LEU CD1 C 25.382 . 1 851 81 81 LEU CD2 C 28.215 . 1 852 81 81 LEU N N 115.958 . 1 853 82 82 ASN H H 7.917 . 1 854 82 82 ASN HA H 4.312 . 1 855 82 82 ASN HB2 H 2.329 . 1 856 82 82 ASN HB3 H 2.329 . 1 857 82 82 ASN C C 173.435 . 1 858 82 82 ASN CA C 53.637 . 1 859 82 82 ASN CB C 37.663 . 1 860 82 82 ASN N N 114.588 . 1 861 83 83 ILE H H 7.960 . 1 862 83 83 ILE HA H 3.718 . 1 863 83 83 ILE HB H 1.654 . 1 864 83 83 ILE HG12 H 0.777 . 2 865 83 83 ILE HG13 H 1.646 . 2 866 83 83 ILE HG2 H 0.785 . 1 867 83 83 ILE HD1 H 0.768 . 1 868 83 83 ILE C C 174.201 . 1 869 83 83 ILE CA C 61.985 . 1 870 83 83 ILE CB C 37.824 . 1 871 83 83 ILE CG1 C 27.812 . 1 872 83 83 ILE CG2 C 17.330 . 1 873 83 83 ILE CD1 C 13.110 . 1 874 83 83 ILE N N 118.421 . 1 875 84 84 GLY H H 7.837 . 1 876 84 84 GLY HA2 H 3.775 . 2 877 84 84 GLY HA3 H 4.398 . 2 878 84 84 GLY C C 173.176 . 1 879 84 84 GLY CA C 43.355 . 1 880 84 84 GLY N N 115.636 . 1 881 85 85 GLU H H 8.910 . 1 882 85 85 GLU HA H 4.185 . 1 883 85 85 GLU HB2 H 2.031 . 1 884 85 85 GLU HB3 H 2.031 . 1 885 85 85 GLU HG2 H 2.274 . 1 886 85 85 GLU HG3 H 2.274 . 1 887 85 85 GLU CA C 60.180 . 1 888 85 85 GLU CB C 27.656 . 1 889 85 85 GLU CG C 35.590 . 1 890 85 85 GLU N N 121.737 . 1 891 86 86 PRO HA H 4.090 . 1 892 86 86 PRO HB2 H 1.367 . 2 893 86 86 PRO HB3 H 2.066 . 2 894 86 86 PRO HD2 H 3.952 . 2 895 86 86 PRO HD3 H 3.305 . 2 896 86 86 PRO C C 177.328 . 1 897 86 86 PRO CA C 66.480 . 1 898 86 86 PRO CB C 31.990 . 1 899 86 86 PRO CG C 28.155 . 1 900 86 86 PRO CD C 50.230 . 1 901 87 87 LEU H H 7.066 . 1 902 87 87 LEU HA H 4.050 . 1 903 87 87 LEU HB2 H 1.329 . 2 904 87 87 LEU HB3 H 2.071 . 2 905 87 87 LEU HG H 0.902 . 1 906 87 87 LEU HD1 H 0.724 . 2 907 87 87 LEU HD2 H 0.724 . 2 908 87 87 LEU C C 177.328 . 1 909 87 87 LEU CA C 56.589 . 1 910 87 87 LEU CB C 41.250 . 1 911 87 87 LEU CG C 27.010 . 1 912 87 87 LEU CD1 C 22.550 . 1 913 87 87 LEU N N 110.728 . 1 914 88 88 LEU H H 7.363 . 1 915 88 88 LEU HA H 4.056 . 1 916 88 88 LEU HB2 H 1.446 . 2 917 88 88 LEU HB3 H 1.995 . 2 918 88 88 LEU HD1 H 0.875 . 2 919 88 88 LEU HD2 H 0.765 . 2 920 88 88 LEU C C 179.529 . 1 921 88 88 LEU CA C 57.493 . 1 922 88 88 LEU CB C 40.180 . 1 923 88 88 LEU CD1 C 25.480 . 1 924 88 88 LEU CD2 C 23.182 . 1 925 88 88 LEU N N 119.384 . 1 926 89 89 VAL H H 8.274 . 1 927 89 89 VAL HA H 3.569 . 1 928 89 89 VAL HB H 2.015 . 1 929 89 89 VAL HG1 H 0.915 . 2 930 89 89 VAL HG2 H 0.997 . 2 931 89 89 VAL C C 176.624 . 1 932 89 89 VAL CA C 66.084 . 1 933 89 89 VAL CB C 31.680 . 1 934 89 89 VAL CG1 C 21.540 . 1 935 89 89 VAL CG2 C 22.931 . 1 936 89 89 VAL N N 120.090 . 1 937 90 90 TYR H H 7.674 . 1 938 90 90 TYR HA H 4.078 . 1 939 90 90 TYR HB2 H 2.990 . 2 940 90 90 TYR HB3 H 3.078 . 2 941 90 90 TYR HD1 H 6.740 . 1 942 90 90 TYR HD2 H 6.740 . 1 943 90 90 TYR HE1 H 6.813 . 1 944 90 90 TYR HE2 H 6.813 . 1 945 90 90 TYR C C 177.248 . 1 946 90 90 TYR CA C 60.688 . 1 947 90 90 TYR CB C 38.910 . 1 948 90 90 TYR CD1 C 132.210 . 1 949 90 90 TYR CE1 C 117.900 . 1 950 90 90 TYR N N 118.653 . 1 951 91 91 LEU H H 8.005 . 1 952 91 91 LEU HA H 3.639 . 1 953 91 91 LEU HB2 H 1.787 . 1 954 91 91 LEU HB3 H 1.787 . 1 955 91 91 LEU HG H 1.743 . 1 956 91 91 LEU HD1 H 0.917 . 2 957 91 91 LEU C C 176.464 . 1 958 91 91 LEU CA C 57.483 . 1 959 91 91 LEU CB C 42.750 . 1 960 91 91 LEU CG C 27.183 . 1 961 91 91 LEU CD1 C 25.252 . 1 962 91 91 LEU N N 118.035 . 1 963 92 92 ARG H H 7.689 . 1 964 92 92 ARG HA H 4.214 . 1 965 92 92 ARG HB2 H 1.993 . 1 966 92 92 ARG HB3 H 1.993 . 1 967 92 92 ARG HG2 H 1.817 . 1 968 92 92 ARG HG3 H 1.817 . 1 969 92 92 ARG HD2 H 3.224 . 1 970 92 92 ARG HD3 H 3.224 . 1 971 92 92 ARG C C 177.836 . 1 972 92 92 ARG CA C 57.826 . 1 973 92 92 ARG CB C 30.743 . 1 974 92 92 ARG CG C 26.629 . 1 975 92 92 ARG CD C 43.753 . 1 976 92 92 ARG N N 116.160 . 1 977 93 93 ARG H H 7.720 . 1 978 93 93 ARG HA H 4.733 . 1 979 93 93 ARG HB2 H 1.886 . 1 980 93 93 ARG HB3 H 1.886 . 1 981 93 93 ARG HG2 H 1.886 . 1 982 93 93 ARG HG3 H 1.886 . 1 983 93 93 ARG HD2 H 3.317 . 1 984 93 93 ARG HD3 H 3.317 . 1 985 93 93 ARG C C 175.466 . 1 986 93 93 ARG CA C 52.100 . 1 987 93 93 ARG CB C 25.854 . 1 988 93 93 ARG CG C 26.200 . 1 989 93 93 ARG CD C 40.770 . 1 990 93 93 ARG N N 120.618 . 1 991 94 94 GLN H H 7.947 . 1 992 94 94 GLN HA H 3.785 . 1 993 94 94 GLN HB2 H 2.007 . 2 994 94 94 GLN HB3 H 2.224 . 2 995 94 94 GLN HG2 H 2.295 . 2 996 94 94 GLN HG3 H 2.477 . 2 997 94 94 GLN HE21 H 7.605 . 2 998 94 94 GLN HE22 H 6.850 . 2 999 94 94 GLN C C 173.960 . 1 1000 94 94 GLN CA C 57.383 . 1 1001 94 94 GLN CB C 27.949 . 1 1002 94 94 GLN CG C 33.953 . 1 1003 94 94 GLN N N 120.692 . 1 1004 94 94 GLN NE2 N 111.600 . 1 1005 95 95 ASP H H 9.428 . 1 1006 95 95 ASP HA H 4.371 . 1 1007 95 95 ASP HB2 H 2.644 . 1 1008 95 95 ASP HB3 H 2.644 . 1 1009 95 95 ASP C C 174.851 . 1 1010 95 95 ASP CA C 53.793 . 1 1011 95 95 ASP CB C 39.380 . 1 1012 95 95 ASP N N 114.884 . 1 1013 96 96 LEU H H 7.450 . 1 1014 96 96 LEU HB2 H 1.398 . 2 1015 96 96 LEU HB3 H 1.734 . 2 1016 96 96 LEU CB C 41.690 . 1 1017 96 96 LEU N N 121.866 . 1 1018 97 97 PRO HA H 4.516 . 1 1019 97 97 PRO HB2 H 1.993 . 2 1020 97 97 PRO HB3 H 2.427 . 2 1021 97 97 PRO HG2 H 2.078 . 1 1022 97 97 PRO HG3 H 2.078 . 1 1023 97 97 PRO HD2 H 3.878 . 2 1024 97 97 PRO HD3 H 3.575 . 2 1025 97 97 PRO C C 176.215 . 1 1026 97 97 PRO CA C 62.215 . 1 1027 97 97 PRO CB C 32.430 . 1 1028 97 97 PRO CG C 27.578 . 1 1029 97 97 PRO CD C 50.396 . 1 1030 98 98 GLU H H 8.516 . 1 1031 98 98 GLU HA H 4.565 . 1 1032 98 98 GLU HB2 H 1.920 . 1 1033 98 98 GLU HB3 H 1.920 . 1 1034 98 98 GLU HG2 H 2.541 . 1 1035 98 98 GLU HG3 H 2.541 . 1 1036 98 98 GLU C C 177.230 . 1 1037 98 98 GLU CA C 56.753 . 1 1038 98 98 GLU CB C 30.795 . 1 1039 98 98 GLU CG C 38.721 . 1 1040 98 98 GLU N N 119.909 . 1 1041 99 99 ILE H H 8.406 . 1 1042 99 99 ILE HA H 4.196 . 1 1043 99 99 ILE HB H 1.491 . 1 1044 99 99 ILE HG12 H 1.179 . 1 1045 99 99 ILE HG13 H 1.179 . 1 1046 99 99 ILE HG2 H 0.927 . 1 1047 99 99 ILE HD1 H 0.607 . 1 1048 99 99 ILE C C 174.718 . 1 1049 99 99 ILE CA C 61.485 . 1 1050 99 99 ILE CB C 40.219 . 1 1051 99 99 ILE CG1 C 28.982 . 1 1052 99 99 ILE CG2 C 17.793 . 1 1053 99 99 ILE CD1 C 15.200 . 1 1054 99 99 ILE N N 123.417 . 1 1055 100 100 THR H H 8.130 . 1 1056 100 100 THR HA H 5.760 . 1 1057 100 100 THR HB H 4.166 . 1 1058 100 100 THR HG2 H 1.178 . 1 1059 100 100 THR C C 173.141 . 1 1060 100 100 THR CA C 58.789 . 1 1061 100 100 THR CB C 71.687 . 1 1062 100 100 THR CG2 C 21.464 . 1 1063 100 100 THR N N 115.210 . 1 1064 101 101 ALA H H 9.242 . 1 1065 101 101 ALA HA H 4.736 . 1 1066 101 101 ALA HB H 1.138 . 1 1067 101 101 ALA C C 175.083 . 1 1068 101 101 ALA CA C 51.390 . 1 1069 101 101 ALA CB C 23.520 . 1 1070 101 101 ALA N N 122.481 . 1 1071 102 102 GLN H H 8.558 . 1 1072 102 102 GLN HA H 4.770 . 1 1073 102 102 GLN HB2 H 2.015 . 1 1074 102 102 GLN HB3 H 2.015 . 1 1075 102 102 GLN HG2 H 2.251 . 1 1076 102 102 GLN HG3 H 2.251 . 1 1077 102 102 GLN HE21 H 7.920 . 2 1078 102 102 GLN HE22 H 6.782 . 2 1079 102 102 GLN C C 175.065 . 1 1080 102 102 GLN CA C 55.361 . 1 1081 102 102 GLN CB C 29.710 . 1 1082 102 102 GLN CG C 34.265 . 1 1083 102 102 GLN N N 121.180 . 1 1084 102 102 GLN NE2 N 112.900 . 1 1085 103 103 ARG H H 8.588 . 1 1086 103 103 ARG HA H 4.243 . 1 1087 103 103 ARG HB2 H 1.298 . 2 1088 103 103 ARG HB3 H 1.539 . 2 1089 103 103 ARG HG2 H 1.041 . 2 1090 103 103 ARG HG3 H 1.095 . 2 1091 103 103 ARG C C 174.005 . 1 1092 103 103 ARG CA C 55.391 . 1 1093 103 103 ARG CB C 31.679 . 1 1094 103 103 ARG CG C 27.042 . 1 1095 103 103 ARG N N 126.045 . 1 1096 104 104 GLN H H 8.366 . 1 1097 104 104 GLN HA H 4.373 . 1 1098 104 104 GLN HB2 H 1.881 . 1 1099 104 104 GLN HB3 H 1.881 . 1 1100 104 104 GLN HG2 H 2.266 . 1 1101 104 104 GLN HG3 H 2.266 . 1 1102 104 104 GLN HE21 H 7.495 . 2 1103 104 104 GLN HE22 H 6.842 . 2 1104 104 104 GLN C C 174.825 . 1 1105 104 104 GLN CA C 55.012 . 1 1106 104 104 GLN CB C 29.750 . 1 1107 104 104 GLN CG C 33.690 . 1 1108 104 104 GLN N N 121.533 . 1 1109 104 104 GLN NE2 N 112.000 . 1 1110 105 105 LEU H H 8.376 . 1 1111 105 105 LEU HA H 4.317 . 1 1112 105 105 LEU HB2 H 1.588 . 1 1113 105 105 LEU HB3 H 1.588 . 1 1114 105 105 LEU HG H 1.602 . 1 1115 105 105 LEU HD1 H 0.820 . 2 1116 105 105 LEU HD2 H 0.820 . 2 1117 105 105 LEU C C 176.749 . 1 1118 105 105 LEU CA C 54.993 . 1 1119 105 105 LEU CB C 42.090 . 1 1120 105 105 LEU CG C 27.208 . 1 1121 105 105 LEU CD2 C 23.752 . 1 1122 105 105 LEU N N 124.442 . 1 1123 106 106 ARG H H 8.478 . 1 1124 106 106 ARG HA H 4.332 . 1 1125 106 106 ARG HB2 H 1.845 . 1 1126 106 106 ARG HB3 H 1.845 . 1 1127 106 106 ARG HG2 H 1.625 . 1 1128 106 106 ARG HG3 H 1.625 . 1 1129 106 106 ARG HD2 H 3.171 . 1 1130 106 106 ARG HD3 H 3.171 . 1 1131 106 106 ARG C C 176.045 . 1 1132 106 106 ARG CA C 56.136 . 1 1133 106 106 ARG CB C 30.815 . 1 1134 106 106 ARG CG C 27.420 . 1 1135 106 106 ARG CD C 43.373 . 1 1136 106 106 ARG N N 122.980 . 1 stop_ save_