data_15046 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N resonance assignments of subunit F of the A1AO ATP synthase from Methanosarcina mazei Go1 ; _BMRB_accession_number 15046 _BMRB_flat_file_name bmr15046.str _Entry_type original _Submission_date 2006-11-21 _Accession_date 2006-11-21 _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 Gayen Shovanlal . . 2 Vivekanandan Subramanian . . 3 Biukovic Goran . . 4 Gruber Gerhard . . 5 Yoon 'Ho Sup' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 549 "13C chemical shifts" 395 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-31 update BMRB 'complete entry citation' 2007-06-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, and 15N resonance assignments of subunit F of the A(1)A (O) ATP synthase from Methanosarcina mazei Go1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636817 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gayen Shovanlal . . 2 Vivekanandan Subramanian . . 3 Biukovic Goran . . 4 Gruber Gerhard . . 5 Yoon 'Ho Sup' . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 23 _Page_last 25 _Year 2007 _Details . loop_ _Keyword 'A1AO ATP synthase' 'Methanosarcina mazei Go1' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Subunit F of the A1AO ATP synthase from Methanosarcina mazei Go1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'subunit F' $F_subunit_A_type_ATP_synthase stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . loop_ _Biological_function 'ATP synthesis/hydrolysis' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_F_subunit_A_type_ATP_synthase _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common F_subunit_A_type_ATP_synthase _Molecular_mass 11944.677 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 110 _Mol_residue_sequence ; MKHHHHHHPMELAVIGKSEF VTGFRLAGISKVYETPDIPA TESAVRSVLEDKSVGILVMH NDDIGNLPEVLRKNLNESVQ PTVVALGGSGSGSTSLREKI KQAVGVDLWK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 MET 2 -6 LYS 3 -5 HIS 4 -4 HIS 5 -3 HIS 6 -2 HIS 7 -1 HIS 8 0 HIS 9 1 PRO 10 2 MET 11 3 GLU 12 4 LEU 13 5 ALA 14 6 VAL 15 7 ILE 16 8 GLY 17 9 LYS 18 10 SER 19 11 GLU 20 12 PHE 21 13 VAL 22 14 THR 23 15 GLY 24 16 PHE 25 17 ARG 26 18 LEU 27 19 ALA 28 20 GLY 29 21 ILE 30 22 SER 31 23 LYS 32 24 VAL 33 25 TYR 34 26 GLU 35 27 THR 36 28 PRO 37 29 ASP 38 30 ILE 39 31 PRO 40 32 ALA 41 33 THR 42 34 GLU 43 35 SER 44 36 ALA 45 37 VAL 46 38 ARG 47 39 SER 48 40 VAL 49 41 LEU 50 42 GLU 51 43 ASP 52 44 LYS 53 45 SER 54 46 VAL 55 47 GLY 56 48 ILE 57 49 LEU 58 50 VAL 59 51 MET 60 52 HIS 61 53 ASN 62 54 ASP 63 55 ASP 64 56 ILE 65 57 GLY 66 58 ASN 67 59 LEU 68 60 PRO 69 61 GLU 70 62 VAL 71 63 LEU 72 64 ARG 73 65 LYS 74 66 ASN 75 67 LEU 76 68 ASN 77 69 GLU 78 70 SER 79 71 VAL 80 72 GLN 81 73 PRO 82 74 THR 83 75 VAL 84 76 VAL 85 77 ALA 86 78 LEU 87 79 GLY 88 80 GLY 89 81 SER 90 82 GLY 91 83 SER 92 84 GLY 93 85 SER 94 86 THR 95 87 SER 96 88 LEU 97 89 ARG 98 90 GLU 99 91 LYS 100 92 ILE 101 93 LYS 102 94 GLN 103 95 ALA 104 96 VAL 105 97 GLY 106 98 VAL 107 99 ASP 108 100 LEU 109 101 TRP 110 102 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-28 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 2OV6 "The Nmr Structure Of Subunit F Of The Methanogenic A1ao Atp Synthase And Its Interaction With The Nucleotide-Binding Subunit B" 91.82 101 100.00 100.00 2.47e-64 GB AAC06374 "A1AO H+ ATPase, subunit F [Methanosarcina mazei Go1]" 91.82 101 100.00 100.00 2.47e-64 GB AAM30477 "A1AO H+ ATPase subunit F [Methanosarcina mazei Go1]" 91.82 101 100.00 100.00 2.47e-64 GB AGF96210 "V-type ATP synthase subunit F [Methanosarcina mazei Tuc01]" 88.18 97 98.97 100.00 8.03e-61 GB AKB39529 "V-type ATP synthase subunit F [Methanosarcina mazei WWM610]" 91.82 101 100.00 100.00 2.47e-64 GB AKB60502 "V-type ATP synthase subunit F [Methanosarcina mazei SarPi]" 91.82 101 100.00 100.00 2.47e-64 REF WP_011032731 "MULTISPECIES: ATP synthase subunit F [Methanosarcina]" 91.82 101 100.00 100.00 2.47e-64 REF WP_048048603 "ATP synthase subunit F [Methanosarcina mazei]" 91.82 101 99.01 99.01 1.96e-63 REF WP_054869506 "ATP synthase subunit F [Methanosarcina mazei]" 92.73 102 99.02 99.02 2.35e-62 SP Q60185 "RecName: Full=V-type ATP synthase subunit F; AltName: Full=V-ATPase subunit F" 91.82 101 100.00 100.00 2.47e-64 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $F_subunit_A_type_ATP_synthase 'Methanosarcina mazei Go1' 2209 Archaea . Methanosarcina mazei 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 $F_subunit_A_type_ATP_synthase 'recombinant technology' . Escherichia coli bl21 'pet 9d' 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $F_subunit_A_type_ATP_synthase . mM 0.1 0.5 '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing 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_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 6.5 . pH pressure 1 . atm temperature 288 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _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 na indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCA' '3D HNCO' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '3D C(CO)NH' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $DSS _Mol_system_component_name 'subunit F' _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 9 PRO HA H 4.193 0.020 1 2 1 9 PRO HB2 H 2.092 0.020 2 3 1 9 PRO HB3 H 1.842 0.020 2 4 1 9 PRO HG2 H 1.762 0.020 1 5 1 9 PRO HG3 H 1.762 0.020 1 6 1 9 PRO HD2 H 3.493 0.020 2 7 1 9 PRO HD3 H 3.248 0.020 2 8 1 9 PRO C C 174.100 0.400 1 9 1 9 PRO CA C 60.950 0.400 1 10 1 9 PRO CB C 29.320 0.400 1 11 1 9 PRO CG C 24.540 0.400 1 12 1 9 PRO CD C 47.880 0.400 1 13 2 10 MET H H 8.610 0.020 1 14 2 10 MET HA H 4.559 0.020 1 15 2 10 MET HB2 H 1.895 0.020 2 16 2 10 MET HB3 H 2.049 0.020 2 17 2 10 MET HG2 H 2.399 0.020 2 18 2 10 MET HG3 H 2.471 0.020 2 19 2 10 MET C C 173.000 0.400 1 20 2 10 MET CA C 52.240 0.400 1 21 2 10 MET CB C 29.840 0.400 1 22 2 10 MET CG C 29.420 0.400 1 23 2 10 MET N N 119.600 0.400 1 24 3 11 GLU H H 8.242 0.020 1 25 3 11 GLU HA H 4.525 0.020 1 26 3 11 GLU HB2 H 1.867 0.020 2 27 3 11 GLU HB3 H 1.765 0.020 2 28 3 11 GLU HG2 H 2.165 0.020 2 29 3 11 GLU HG3 H 2.212 0.020 2 30 3 11 GLU C C 173.100 0.400 1 31 3 11 GLU CA C 53.600 0.400 1 32 3 11 GLU CB C 28.530 0.400 1 33 3 11 GLU CG C 33.620 0.400 1 34 3 11 GLU N N 118.700 0.400 1 35 4 12 LEU H H 8.406 0.020 1 36 4 12 LEU HA H 5.148 0.020 1 37 4 12 LEU HB2 H 1.452 0.020 1 38 4 12 LEU HB3 H 1.452 0.020 1 39 4 12 LEU HG H 1.702 0.020 1 40 4 12 LEU HD1 H 0.631 0.020 2 41 4 12 LEU HD2 H 0.704 0.020 2 42 4 12 LEU C C 171.800 0.400 1 43 4 12 LEU CA C 51.690 0.400 1 44 4 12 LEU CB C 42.340 0.400 1 45 4 12 LEU CG C 29.650 0.400 1 46 4 12 LEU CD1 C 23.490 0.400 1 47 4 12 LEU CD2 C 22.810 0.400 1 48 4 12 LEU N N 124.900 0.400 1 49 5 13 ALA H H 8.704 0.020 1 50 5 13 ALA HA H 5.439 0.020 1 51 5 13 ALA HB H 1.299 0.020 1 52 5 13 ALA C C 172.600 0.400 1 53 5 13 ALA CA C 47.370 0.400 1 54 5 13 ALA CB C 22.090 0.400 1 55 5 13 ALA N N 123.000 0.400 1 56 6 14 VAL H H 8.319 0.020 1 57 6 14 VAL HA H 5.021 0.020 1 58 6 14 VAL HB H 1.351 0.020 1 59 6 14 VAL HG1 H 0.147 0.020 2 60 6 14 VAL HG2 H 0.356 0.020 2 61 6 14 VAL C C 170.600 0.400 1 62 6 14 VAL CA C 57.040 0.400 1 63 6 14 VAL CB C 32.800 0.400 1 64 6 14 VAL CG1 C 18.530 0.400 1 65 6 14 VAL CG2 C 17.910 0.400 1 66 6 14 VAL N N 118.400 0.400 1 67 7 15 ILE H H 7.884 0.020 1 68 7 15 ILE HA H 5.190 0.020 1 69 7 15 ILE HB H 1.661 0.020 1 70 7 15 ILE HG12 H 1.461 0.020 2 71 7 15 ILE HG13 H 1.473 0.020 2 72 7 15 ILE HG2 H 0.908 0.020 1 73 7 15 ILE HD1 H 0.669 0.020 1 74 7 15 ILE C C 172.400 0.400 1 75 7 15 ILE CA C 56.630 0.400 1 76 7 15 ILE CB C 40.980 0.400 1 77 7 15 ILE CG1 C 23.900 0.400 1 78 7 15 ILE CG2 C 14.920 0.400 1 79 7 15 ILE CD1 C 11.900 0.400 1 80 7 15 ILE N N 125.700 0.400 1 81 8 16 GLY H H 8.284 0.020 1 82 8 16 GLY HA2 H 3.843 0.020 2 83 8 16 GLY HA3 H 4.588 0.020 2 84 8 16 GLY C C 169.000 0.400 1 85 8 16 GLY CA C 42.470 0.400 1 86 8 16 GLY N N 112.000 0.400 1 87 9 17 LYS H H 9.168 0.020 1 88 9 17 LYS HA H 4.324 0.020 1 89 9 17 LYS HB2 H 1.739 0.020 2 90 9 17 LYS HB3 H 2.042 0.020 2 91 9 17 LYS HG2 H 1.560 0.020 2 92 9 17 LYS HG3 H 1.546 0.020 2 93 9 17 LYS HD2 H 1.697 0.020 2 94 9 17 LYS HD3 H 1.658 0.020 2 95 9 17 LYS HE2 H 2.895 0.020 2 96 9 17 LYS HE3 H 3.275 0.020 2 97 9 17 LYS HZ H 7.279 0.020 1 98 9 17 LYS C C 176.300 0.400 1 99 9 17 LYS CA C 53.530 0.400 1 100 9 17 LYS CB C 31.110 0.400 1 101 9 17 LYS CG C 22.520 0.400 1 102 9 17 LYS CD C 25.740 0.400 1 103 9 17 LYS CE C 39.160 0.400 1 104 9 17 LYS N N 119.300 0.400 1 105 10 18 SER H H 9.347 0.020 1 106 10 18 SER HA H 3.827 0.020 1 107 10 18 SER HB2 H 3.771 0.020 1 108 10 18 SER HB3 H 3.771 0.020 1 109 10 18 SER C C 174.500 0.400 1 110 10 18 SER CA C 60.200 0.400 1 111 10 18 SER CB C 62.110 0.400 1 112 10 18 SER N N 116.700 0.400 1 113 11 19 GLU H H 9.453 0.020 1 114 11 19 GLU HA H 4.010 0.020 1 115 11 19 GLU HB2 H 1.958 0.020 1 116 11 19 GLU HB3 H 1.958 0.020 1 117 11 19 GLU HG2 H 2.254 0.020 1 118 11 19 GLU HG3 H 2.254 0.020 1 119 11 19 GLU C C 174.200 0.400 1 120 11 19 GLU CA C 56.880 0.400 1 121 11 19 GLU N N 118.900 0.400 1 122 12 20 PHE H H 7.585 0.020 1 123 12 20 PHE HA H 4.651 0.020 1 124 12 20 PHE HB2 H 3.169 0.020 2 125 12 20 PHE HB3 H 3.288 0.020 2 126 12 20 PHE HD1 H 7.273 0.020 1 127 12 20 PHE HD2 H 7.273 0.020 1 128 12 20 PHE HE1 H 7.583 0.020 1 129 12 20 PHE HE2 H 7.583 0.020 1 130 12 20 PHE C C 174.300 0.400 1 131 12 20 PHE CA C 57.000 0.400 1 132 12 20 PHE N N 119.700 0.400 1 133 13 21 VAL H H 8.154 0.020 1 134 13 21 VAL HA H 3.946 0.020 1 135 13 21 VAL HB H 2.054 0.020 1 136 13 21 VAL HG1 H 0.744 0.020 2 137 13 21 VAL HG2 H 0.744 0.020 2 138 13 21 VAL C C 175.900 0.400 1 139 13 21 VAL CA C 61.000 0.400 1 140 13 21 VAL CB C 29.190 0.400 1 141 13 21 VAL CG1 C 16.500 0.400 1 142 13 21 VAL CG2 C 16.500 0.400 1 143 13 21 VAL N N 108.300 0.400 1 144 14 22 THR H H 7.938 0.020 1 145 14 22 THR HA H 4.069 0.020 1 146 14 22 THR HB H 3.702 0.020 1 147 14 22 THR HG2 H 1.075 0.020 1 148 14 22 THR C C 173.200 0.400 1 149 14 22 THR CA C 65.210 0.400 1 150 14 22 THR CB C 66.110 0.400 1 151 14 22 THR CG2 C 18.260 0.400 1 152 14 22 THR N N 118.600 0.400 1 153 15 23 GLY H H 8.301 0.020 1 154 15 23 GLY HA2 H 3.708 0.020 1 155 15 23 GLY HA3 H 3.708 0.020 1 156 15 23 GLY C C 175.500 0.400 1 157 15 23 GLY CA C 41.890 0.400 1 158 15 23 GLY N N 107.300 0.400 1 159 16 24 PHE H H 7.114 0.020 1 160 16 24 PHE HA H 3.974 0.020 1 161 16 24 PHE HB2 H 2.632 0.020 2 162 16 24 PHE HB3 H 2.831 0.020 2 163 16 24 PHE HD1 H 6.488 0.020 1 164 16 24 PHE HD2 H 6.488 0.020 1 165 16 24 PHE HE1 H 6.880 0.020 1 166 16 24 PHE HE2 H 6.880 0.020 1 167 16 24 PHE C C 174.600 0.400 1 168 16 24 PHE CA C 58.320 0.400 1 169 16 24 PHE CB C 35.840 0.400 1 170 17 25 ARG H H 7.828 0.020 1 171 17 25 ARG HA H 4.157 0.020 1 172 17 25 ARG HB2 H 1.832 0.020 2 173 17 25 ARG HB3 H 1.847 0.020 2 174 17 25 ARG HG2 H 1.627 0.020 2 175 17 25 ARG HG3 H 1.486 0.020 2 176 17 25 ARG HD2 H 3.127 0.020 1 177 17 25 ARG HD3 H 3.127 0.020 1 178 17 25 ARG HE H 8.081 0.020 1 179 17 25 ARG HH21 H 7.242 0.020 1 180 17 25 ARG HH22 H 7.242 0.020 1 181 17 25 ARG C C 177.800 0.400 1 182 17 25 ARG CA C 56.650 0.400 1 183 17 25 ARG CB C 27.170 0.400 1 184 17 25 ARG CG C 25.62 0.400 1 185 17 25 ARG N N 120.200 0.400 1 186 17 25 ARG NH2 N 83.28 0.400 1 187 18 26 LEU H H 7.999 0.020 1 188 18 26 LEU HA H 3.987 0.020 1 189 18 26 LEU HB2 H 1.455 0.020 2 190 18 26 LEU HB3 H 1.620 0.020 2 191 18 26 LEU HG H 1.474 0.020 1 192 18 26 LEU HD1 H 0.718 0.020 2 193 18 26 LEU HD2 H 0.718 0.020 2 194 18 26 LEU C C 175.000 0.400 1 195 18 26 LEU CA C 54.230 0.400 1 196 18 26 LEU CB C 38.770 0.400 1 197 18 26 LEU CG C 24.030 0.400 1 198 18 26 LEU CD1 C 22.410 0.400 1 199 18 26 LEU CD2 C 22.250 0.400 1 200 18 26 LEU N N 119.700 0.400 1 201 19 27 ALA H H 7.140 0.020 1 202 19 27 ALA HA H 4.175 0.020 1 203 19 27 ALA HB H 1.228 0.020 1 204 19 27 ALA C C 174.400 0.400 1 205 19 27 ALA CA C 49.530 0.400 1 206 19 27 ALA CB C 15.960 0.400 1 207 19 27 ALA N N 119.400 0.400 1 208 20 28 GLY H H 7.629 0.020 1 209 20 28 GLY HA2 H 3.592 0.020 2 210 20 28 GLY HA3 H 4.167 0.020 2 211 20 28 GLY C C 171.700 0.400 1 212 20 28 GLY CA C 42.700 0.400 1 213 20 28 GLY N N 104.700 0.400 1 214 21 29 ILE H H 7.449 0.020 1 215 21 29 ILE HA H 3.974 0.020 1 216 21 29 ILE HB H 1.558 0.020 1 217 21 29 ILE HG12 H 1.363 0.020 2 218 21 29 ILE HG13 H 1.557 0.020 2 219 21 29 ILE HG2 H 1.259 0.020 1 220 21 29 ILE HD1 H 0.631 0.020 1 221 21 29 ILE C C 172.800 0.400 1 222 21 29 ILE CA C 57.760 0.400 1 223 21 29 ILE CB C 33.700 0.400 1 224 21 29 ILE CG1 C 30.690 0.400 1 225 21 29 ILE CG2 C 15.330 0.400 1 226 21 29 ILE CD1 C 9.573 0.400 1 227 21 29 ILE N N 121.200 0.400 1 228 22 30 SER H H 8.182 0.020 1 229 22 30 SER HA H 4.352 0.020 1 230 22 30 SER HB2 H 3.780 0.020 2 231 22 30 SER HB3 H 3.726 0.020 2 232 22 30 SER C C 173.400 0.400 1 233 22 30 SER CA C 57.410 0.400 1 234 22 30 SER CB C 61.400 0.400 1 235 22 30 SER N N 121.500 0.400 1 236 23 31 LYS H H 8.266 0.020 1 237 23 31 LYS HA H 4.127 0.020 1 238 23 31 LYS HB2 H 1.758 0.020 2 239 23 31 LYS HB3 H 2.050 0.020 2 240 23 31 LYS HG2 H 1.110 0.020 1 241 23 31 LYS HG3 H 1.110 0.020 1 242 23 31 LYS HD2 H 1.286 0.020 1 243 23 31 LYS HD3 H 1.286 0.020 1 244 23 31 LYS HE2 H 2.840 0.020 2 245 23 31 LYS HE3 H 3.107 0.020 2 246 23 31 LYS HZ H 7.601 0.020 1 247 23 31 LYS C C 170.200 0.400 1 248 23 31 LYS CA C 53.470 0.400 1 249 23 31 LYS CB C 27.810 0.400 1 250 23 31 LYS CG C 22.18 0.400 1 251 23 31 LYS CD C 28.33 0.400 1 252 23 31 LYS CE C 39.380 0.400 1 253 23 31 LYS N N 125.900 0.400 1 254 24 32 VAL H H 6.997 0.020 1 255 24 32 VAL HA H 4.379 0.020 1 256 24 32 VAL HB H 1.629 0.020 1 257 24 32 VAL HG1 H 0.504 0.020 2 258 24 32 VAL HG2 H 0.550 0.020 2 259 24 32 VAL C C 172.200 0.400 1 260 24 32 VAL CA C 57.340 0.400 1 261 24 32 VAL CB C 31.070 0.400 1 262 24 32 VAL CG1 C 18.910 0.400 1 263 24 32 VAL CG2 C 18.690 0.400 1 264 24 32 VAL N N 120.500 0.400 1 265 25 33 TYR H H 8.934 0.020 1 266 25 33 TYR HA H 4.582 0.020 1 267 25 33 TYR HB2 H 2.930 0.020 2 268 25 33 TYR HB3 H 2.740 0.020 2 269 25 33 TYR HD1 H 6.530 0.020 1 270 25 33 TYR HD2 H 6.530 0.020 1 271 25 33 TYR HE1 H 6.930 0.020 1 272 25 33 TYR HE2 H 6.930 0.020 1 273 25 33 TYR C C 170.400 0.400 1 274 25 33 TYR CA C 53.730 0.400 1 275 25 33 TYR CB C 35.880 0.400 1 276 25 33 TYR N N 128.400 0.400 1 277 26 34 GLU H H 8.485 0.020 1 278 26 34 GLU HA H 5.111 0.020 1 279 26 34 GLU HB2 H 1.700 0.020 1 280 26 34 GLU HB3 H 1.700 0.020 1 281 26 34 GLU HG2 H 1.942 0.020 2 282 26 34 GLU HG3 H 1.981 0.020 2 283 26 34 GLU C C 174.500 0.400 1 284 26 34 GLU CA C 52.270 0.400 1 285 26 34 GLU CB C 27.810 0.400 1 286 26 34 GLU CG C 33.730 0.400 1 287 26 34 GLU N N 125.500 0.400 1 288 27 35 THR H H 8.791 0.020 1 289 27 35 THR HA H 4.603 0.020 1 290 27 35 THR HB H 3.955 0.020 1 291 27 35 THR HG2 H 0.798 0.020 1 292 27 35 THR C C 171.900 0.400 1 293 27 35 THR CA C 62.750 0.400 1 294 27 35 THR CB C 67.010 0.400 1 295 27 35 THR CG2 C 24.570 0.400 1 296 27 35 THR N N 119.100 0.400 1 297 28 36 PRO HA H 4.408 0.020 1 298 28 36 PRO HB2 H 1.975 0.020 2 299 28 36 PRO HB3 H 2.306 0.020 2 300 28 36 PRO HG2 H 1.871 0.020 1 301 28 36 PRO HG3 H 1.871 0.020 1 302 28 36 PRO HD2 H 3.537 0.020 2 303 28 36 PRO HD3 H 3.614 0.020 2 304 28 36 PRO C C 172.400 0.400 1 305 28 36 PRO CA C 61.070 0.400 1 306 28 36 PRO CB C 29.830 0.400 1 307 28 36 PRO CG C 23.910 0.400 1 308 28 36 PRO CD C 48.670 0.400 1 309 29 37 ASP H H 7.086 0.020 1 310 29 37 ASP HA H 4.679 0.020 1 311 29 37 ASP HB2 H 2.715 0.020 2 312 29 37 ASP HB3 H 2.979 0.020 2 313 29 37 ASP C C 173.400 0.400 1 314 29 37 ASP CA C 49.210 0.400 1 315 29 37 ASP CB C 39.950 0.400 1 316 29 37 ASP N N 114.800 0.400 1 317 30 38 ILE H H 8.643 0.020 1 318 30 38 ILE HA H 3.799 0.020 1 319 30 38 ILE HB H 2.017 0.020 1 320 30 38 ILE HG12 H 0.854 0.020 2 321 30 38 ILE HG13 H 1.102 0.020 2 322 30 38 ILE HG2 H 1.600 0.020 1 323 30 38 ILE HD1 H 0.790 0.020 1 324 30 38 ILE C C 172.800 0.400 1 325 30 38 ILE CA C 63.710 0.400 1 326 30 38 ILE CB C 32.630 0.400 1 327 30 38 ILE CG1 C 26.620 0.400 1 328 30 38 ILE CG2 C 14.800 0.400 1 329 30 38 ILE CD1 C 9.635 0.400 1 330 30 38 ILE N N 120.600 0.400 1 331 31 39 PRO HA H 4.324 0.020 1 332 31 39 PRO HB2 H 2.040 0.020 2 333 31 39 PRO HB3 H 2.219 0.020 2 334 31 39 PRO HG2 H 1.760 0.020 2 335 31 39 PRO HG3 H 1.821 0.020 2 336 31 39 PRO HD2 H 3.652 0.020 2 337 31 39 PRO HD3 H 3.670 0.020 2 338 31 39 PRO C C 177.100 0.400 1 339 31 39 PRO CA C 63.690 0.400 1 340 31 39 PRO CB C 27.770 0.400 1 341 31 39 PRO CG C 25.170 0.400 1 342 31 39 PRO CD C 52.870 0.400 1 343 32 40 ALA H H 8.182 0.020 1 344 32 40 ALA HA H 4.160 0.020 1 345 32 40 ALA HB H 1.485 0.020 1 346 32 40 ALA C C 178.000 0.400 1 347 32 40 ALA CA C 52.170 0.400 1 348 32 40 ALA CB C 15.820 0.400 1 349 32 40 ALA N N 118.900 0.400 1 350 33 41 THR H H 8.169 0.020 1 351 33 41 THR HA H 4.342 0.020 1 352 33 41 THR HB H 3.747 0.020 1 353 33 41 THR HG2 H 0.996 0.020 1 354 33 41 THR C C 172.500 0.400 1 355 33 41 THR CA C 64.710 0.400 1 356 33 41 THR CB C 65.240 0.400 1 357 33 41 THR CG2 C 18.770 0.400 1 358 33 41 THR N N 118.400 0.400 1 359 34 42 GLU H H 8.467 0.020 1 360 34 42 GLU HA H 3.462 0.020 1 361 34 42 GLU HB2 H 2.130 0.020 1 362 34 42 GLU HB3 H 2.130 0.020 1 363 34 42 GLU HG2 H 1.966 0.020 1 364 34 42 GLU HG3 H 1.966 0.020 1 365 34 42 GLU C C 175.200 0.400 1 366 34 42 GLU CA C 57.750 0.400 1 367 34 42 GLU CB C 26.780 0.400 1 368 34 42 GLU CG C 33.970 0.400 1 369 34 42 GLU N N 121.400 0.400 1 370 35 43 SER H H 7.806 0.020 1 371 35 43 SER HA H 3.991 0.020 1 372 35 43 SER HB2 H 3.831 0.020 1 373 35 43 SER HB3 H 3.831 0.020 1 374 35 43 SER C C 174.200 0.400 1 375 35 43 SER CA C 57.050 0.400 1 376 35 43 SER CB C 60.580 0.400 1 377 35 43 SER N N 112.100 0.400 1 378 36 44 ALA H H 7.814 0.020 1 379 36 44 ALA HA H 3.807 0.020 1 380 36 44 ALA HB H 1.182 0.020 1 381 36 44 ALA C C 176.000 0.400 1 382 36 44 ALA CA C 52.390 0.400 1 383 36 44 ALA CB C 16.460 0.400 1 384 36 44 ALA N N 123.700 0.400 1 385 37 45 VAL H H 8.314 0.020 1 386 37 45 VAL HA H 3.078 0.020 1 387 37 45 VAL HB H 2.065 0.020 1 388 37 45 VAL HG1 H 0.693 0.020 2 389 37 45 VAL HG2 H 0.979 0.020 2 390 37 45 VAL C C 174.400 0.400 1 391 37 45 VAL CA C 64.170 0.400 1 392 37 45 VAL CB C 28.950 0.400 1 393 37 45 VAL CG1 C 21.780 0.400 1 394 37 45 VAL CG2 C 20.040 0.400 1 395 37 45 VAL N N 118.400 0.400 1 396 38 46 ARG H H 7.843 0.020 1 397 38 46 ARG HA H 3.683 0.020 1 398 38 46 ARG HB2 H 1.764 0.020 2 399 38 46 ARG HB3 H 1.755 0.020 2 400 38 46 ARG HG2 H 1.456 0.020 2 401 38 46 ARG HG3 H 1.450 0.020 2 402 38 46 ARG HD2 H 3.084 0.020 2 403 38 46 ARG HD3 H 3.092 0.020 2 404 38 46 ARG HH11 H 7.609 0.020 1 405 38 46 ARG HH12 H 7.609 0.020 1 406 38 46 ARG C C 176.200 0.400 1 407 38 46 ARG CA C 57.790 0.400 1 408 38 46 ARG CB C 26.640 0.400 1 409 38 46 ARG CG C 25.990 0.400 1 410 38 46 ARG CD C 40.390 0.400 1 411 38 46 ARG N N 116.100 0.400 1 412 38 46 ARG NH2 N 85.28 0.400 1 413 39 47 SER H H 7.607 0.020 1 414 39 47 SER HA H 4.046 0.020 1 415 39 47 SER HB2 H 3.767 0.020 2 416 39 47 SER HB3 H 3.760 0.020 2 417 39 47 SER C C 174.500 0.400 1 418 39 47 SER CA C 59.020 0.400 1 419 39 47 SER CB C 60.310 0.400 1 420 39 47 SER N N 112.900 0.400 1 421 40 48 VAL H H 8.244 0.020 1 422 40 48 VAL HA H 3.660 0.020 1 423 40 48 VAL HB H 1.808 0.020 1 424 40 48 VAL HG1 H 0.806 0.020 2 425 40 48 VAL HG2 H 0.718 0.020 2 426 40 48 VAL C C 175.300 0.400 1 427 40 48 VAL CA C 63.510 0.400 1 428 40 48 VAL CB C 28.150 0.400 1 429 40 48 VAL CG1 C 21.720 0.400 1 430 40 48 VAL CG2 C 20.840 0.400 1 431 40 48 VAL N N 123.100 0.400 1 432 41 49 LEU H H 8.071 0.020 1 433 41 49 LEU HA H 3.785 0.020 1 434 41 49 LEU HB2 H 1.732 0.020 2 435 41 49 LEU HB3 H 1.695 0.020 2 436 41 49 LEU HG H 1.378 0.020 1 437 41 49 LEU HD1 H 0.614 0.020 2 438 41 49 LEU HD2 H 0.614 0.020 2 439 41 49 LEU C C 175.700 0.400 1 440 41 49 LEU CA C 54.630 0.400 1 441 41 49 LEU CB C 38.300 0.400 1 442 41 49 LEU CG C 24.110 0.400 1 443 41 49 LEU CD1 C 22.560 0.400 1 444 41 49 LEU CD2 C 19.100 0.400 1 445 41 49 LEU N N 117.200 0.400 1 446 42 50 GLU H H 6.986 0.020 1 447 42 50 GLU HA H 4.213 0.020 1 448 42 50 GLU HB2 H 1.843 0.020 2 449 42 50 GLU HB3 H 1.840 0.020 2 450 42 50 GLU HG2 H 2.318 0.020 2 451 42 50 GLU HG3 H 2.159 0.020 2 452 42 50 GLU C C 172.600 0.400 1 453 42 50 GLU CA C 53.240 0.400 1 454 42 50 GLU CB C 27.590 0.400 1 455 42 50 GLU CG C 33.420 0.400 1 456 42 50 GLU N N 114.700 0.400 1 457 43 51 ASP H H 7.630 0.020 1 458 43 51 ASP HA H 4.474 0.020 1 459 43 51 ASP HB2 H 3.283 0.020 2 460 43 51 ASP HB3 H 2.413 0.020 2 461 43 51 ASP C C 173.700 0.400 1 462 43 51 ASP CA C 50.350 0.400 1 463 43 51 ASP CB C 37.870 0.400 1 464 43 51 ASP N N 121.500 0.400 1 465 44 52 LYS H H 8.287 0.020 1 466 44 52 LYS HA H 4.083 0.020 1 467 44 52 LYS HB2 H 1.676 0.020 2 468 44 52 LYS HB3 H 1.855 0.020 2 469 44 52 LYS HG2 H 1.430 0.020 2 470 44 52 LYS HG3 H 1.468 0.020 2 471 44 52 LYS HD2 H 1.529 0.020 1 472 44 52 LYS HD3 H 1.529 0.020 1 473 44 52 LYS HE2 H 2.929 0.020 1 474 44 52 LYS HE3 H 2.929 0.020 1 475 44 52 LYS C C 174.100 0.400 1 476 44 52 LYS CA C 54.030 0.400 1 477 44 52 LYS CB C 28.380 0.400 1 478 44 52 LYS CG C 21.750 0.400 1 479 44 52 LYS CD C 25.190 0.400 1 480 44 52 LYS CE C 39.380 0.400 1 481 44 52 LYS N N 123.200 0.400 1 482 45 53 SER H H 8.464 0.020 1 483 45 53 SER HA H 4.293 0.020 1 484 45 53 SER HB2 H 3.688 0.020 2 485 45 53 SER HB3 H 3.736 0.020 2 486 45 53 SER C C 171.600 0.400 1 487 45 53 SER CA C 56.160 0.400 1 488 45 53 SER CB C 62.440 0.400 1 489 45 53 SER N N 113.800 0.400 1 490 46 54 VAL H H 7.214 0.020 1 491 46 54 VAL HA H 3.755 0.020 1 492 46 54 VAL HB H 1.989 0.020 1 493 46 54 VAL HG1 H 0.655 0.020 2 494 46 54 VAL HG2 H 0.740 0.020 2 495 46 54 VAL C C 172.500 0.400 1 496 46 54 VAL CA C 60.450 0.400 1 497 46 54 VAL CB C 29.730 0.400 1 498 46 54 VAL CG1 C 19.900 0.400 1 499 46 54 VAL CG2 C 19.640 0.400 1 500 46 54 VAL N N 122.100 0.400 1 501 47 55 GLY H H 9.313 0.020 1 502 47 55 GLY HA2 H 3.767 0.020 2 503 47 55 GLY HA3 H 4.330 0.020 2 504 47 55 GLY C C 171.500 0.400 1 505 47 55 GLY CA C 42.850 0.400 1 506 47 55 GLY N N 114.800 0.400 1 507 48 56 ILE H H 7.564 0.020 1 508 48 56 ILE HA H 4.871 0.020 1 509 48 56 ILE HB H 1.496 0.020 1 510 48 56 ILE HG12 H 1.334 0.020 1 511 48 56 ILE HG13 H 1.334 0.020 1 512 48 56 ILE HG2 H 0.912 0.020 1 513 48 56 ILE HD1 H 0.665 0.020 1 514 48 56 ILE C C 175.7 0.400 1 515 48 56 ILE CA C 56.590 0.400 1 516 48 56 ILE CB C 38.570 0.400 1 517 48 56 ILE CG1 C 25.160 0.400 1 518 48 56 ILE CG2 C 15.070 0.400 1 519 48 56 ILE CD1 C 10.830 0.400 1 520 48 56 ILE N N 122.100 0.400 1 521 49 57 LEU H H 8.706 0.020 1 522 49 57 LEU HA H 5.030 0.020 1 523 49 57 LEU HB2 H 1.462 0.020 2 524 49 57 LEU HB3 H 1.265 0.020 2 525 49 57 LEU HG H 0.827 0.020 1 526 49 57 LEU HD1 H 0.679 0.020 2 527 49 57 LEU HD2 H 0.645 0.020 2 528 49 57 LEU C C 170.400 0.400 1 529 49 57 LEU CA C 49.500 0.400 1 530 49 57 LEU CB C 42.130 0.400 1 531 49 57 LEU CG C 25.410 0.400 1 532 49 57 LEU CD1 C 24.610 0.400 1 533 49 57 LEU CD2 C 21.030 0.400 1 534 49 57 LEU N N 128.800 0.400 1 535 50 58 VAL H H 9.018 0.020 1 536 50 58 VAL HA H 4.906 0.020 1 537 50 58 VAL HB H 1.676 0.020 1 538 50 58 VAL HG1 H 0.695 0.020 2 539 50 58 VAL HG2 H 0.806 0.020 2 540 50 58 VAL C C 171.500 0.400 1 541 50 58 VAL CA C 58.380 0.400 1 542 50 58 VAL CB C 30.110 0.400 1 543 50 58 VAL CG1 C 18.840 0.400 1 544 50 58 VAL CG2 C 18.730 0.400 1 545 50 58 VAL N N 128.100 0.400 1 546 51 59 MET H H 8.408 0.020 1 547 51 59 MET HA H 4.912 0.020 1 548 51 59 MET HB2 H 2.133 0.020 1 549 51 59 MET HB3 H 2.133 0.020 1 550 51 59 MET HG2 H 2.327 0.020 2 551 51 59 MET HG3 H 2.571 0.020 2 552 51 59 MET C C 170.200 0.400 1 553 51 59 MET CA C 51.840 0.400 1 554 51 59 MET CB C 37.420 0.400 1 555 51 59 MET CG C 30.340 0.400 1 556 51 59 MET N N 123.100 0.400 1 557 52 60 HIS H H 10.310 0.020 1 558 52 60 HIS HA H 4.370 0.020 1 559 52 60 HIS HB2 H 1.377 0.020 2 560 52 60 HIS HB3 H 2.484 0.020 2 561 52 60 HIS HD2 H 7.273 0.020 1 562 52 60 HIS HE1 H 7.191 0.020 1 563 52 60 HIS C C 175.100 0.400 1 564 52 60 HIS CA C 53.730 0.400 1 565 52 60 HIS CB C 29.290 0.400 1 566 52 60 HIS N N 123.800 0.400 1 567 53 61 ASN H H 8.728 0.020 1 568 53 61 ASN HA H 4.110 0.020 1 569 53 61 ASN HB2 H 2.461 0.020 2 570 53 61 ASN HB3 H 2.217 0.020 2 571 53 61 ASN HD21 H 6.632 0.020 2 572 53 61 ASN HD22 H 7.400 0.020 2 573 53 61 ASN C C 174.900 0.400 1 574 53 61 ASN CA C 54.340 0.400 1 575 53 61 ASN CB C 36.970 0.400 1 576 53 61 ASN N N 126.600 0.400 1 577 53 61 ASN ND2 N 112.500 0.400 1 578 54 62 ASP H H 11.520 0.020 1 579 54 62 ASP HA H 4.172 0.020 1 580 54 62 ASP HB2 H 2.180 0.020 2 581 54 62 ASP HB3 H 2.486 0.020 2 582 54 62 ASP C C 175.800 0.400 1 583 54 62 ASP CA C 54.590 0.400 1 584 54 62 ASP CB C 37.050 0.400 1 585 54 62 ASP N N 123.600 0.400 1 586 55 63 ASP H H 7.239 0.020 1 587 55 63 ASP HA H 4.435 0.020 1 588 55 63 ASP HB2 H 2.280 0.020 2 589 55 63 ASP HB3 H 2.876 0.020 2 590 55 63 ASP C C 176.400 0.400 1 591 55 63 ASP CA C 53.640 0.400 1 592 55 63 ASP CB C 37.630 0.400 1 593 55 63 ASP N N 117.600 0.400 1 594 56 64 ILE H H 7.530 0.020 1 595 56 64 ILE HA H 3.306 0.020 1 596 56 64 ILE HB H 1.693 0.020 1 597 56 64 ILE HG13 H 1.523 0.020 2 598 56 64 ILE HG2 H 0.714 0.020 1 599 56 64 ILE HD1 H 0.673 0.020 1 600 56 64 ILE C C 175.700 0.400 1 601 56 64 ILE CA C 62.780 0.400 1 602 56 64 ILE CB C 35.240 0.400 1 603 56 64 ILE CG1 C 26.290 0.400 1 604 56 64 ILE CG2 C 14.430 0.400 1 605 56 64 ILE CD1 C 10.780 0.400 1 606 56 64 ILE N N 120.000 0.400 1 607 57 65 GLY H H 7.650 0.020 1 608 57 65 GLY HA2 H 3.702 0.020 2 609 57 65 GLY HA3 H 3.763 0.020 2 610 57 65 GLY C C 171.300 0.400 1 611 57 65 GLY CA C 43.800 0.400 1 612 57 65 GLY N N 102.700 0.400 1 613 58 66 ASN H H 6.995 0.020 1 614 58 66 ASN HA H 4.795 0.020 1 615 58 66 ASN HB2 H 2.696 0.020 2 616 58 66 ASN HB3 H 2.881 0.020 2 617 58 66 ASN HD21 H 7.582 0.020 2 618 58 66 ASN HD22 H 6.870 0.020 2 619 58 66 ASN C C 172.500 0.400 1 620 58 66 ASN CA C 50.180 0.400 1 621 58 66 ASN CB C 37.140 0.400 1 622 58 66 ASN N N 115.200 0.400 1 623 58 66 ASN ND2 N 113.800 0.400 1 624 59 67 LEU H H 7.320 0.020 1 625 59 67 LEU HA H 4.356 0.020 1 626 59 67 LEU HB2 H 2.109 0.020 2 627 59 67 LEU HB3 H 1.821 0.020 2 628 59 67 LEU HG H 1.496 0.020 1 629 59 67 LEU HD1 H 1.141 0.020 2 630 59 67 LEU HD2 H 0.673 0.020 2 631 59 67 LEU C C 171.100 0.400 1 632 59 67 LEU CA C 50.600 0.400 1 633 59 67 LEU CB C 38.470 0.400 1 634 59 67 LEU CG C 24.920 0.400 1 635 59 67 LEU CD1 C 22.950 0.400 1 636 59 67 LEU N N 120.200 0.400 1 637 60 68 PRO HA H 4.373 0.020 1 638 60 68 PRO HB2 H 2.387 0.020 2 639 60 68 PRO HB3 H 2.008 0.020 2 640 60 68 PRO HG2 H 1.747 0.020 1 641 60 68 PRO HG3 H 1.747 0.020 1 642 60 68 PRO HD2 H 3.273 0.020 2 643 60 68 PRO HD3 H 3.762 0.020 2 644 60 68 PRO C C 174.500 0.400 1 645 60 68 PRO CA C 59.990 0.400 1 646 60 68 PRO CB C 28.600 0.400 1 647 60 68 PRO CG C 24.850 0.400 1 648 60 68 PRO CD C 47.440 0.400 1 649 61 69 GLU H H 8.736 0.020 1 650 61 69 GLU HA H 3.655 0.020 1 651 61 69 GLU HB2 H 1.871 0.020 2 652 61 69 GLU HB3 H 1.918 0.020 2 653 61 69 GLU HG2 H 2.160 0.020 1 654 61 69 GLU HG3 H 2.160 0.020 1 655 61 69 GLU C C 175.200 0.400 1 656 61 69 GLU CA C 58.120 0.400 1 657 61 69 GLU CB C 27.080 0.400 1 658 61 69 GLU CG C 33.260 0.400 1 659 61 69 GLU N N 124.400 0.400 1 660 62 70 VAL H H 8.448 0.020 1 661 62 70 VAL HA H 3.687 0.020 1 662 62 70 VAL HB H 1.944 0.020 1 663 62 70 VAL HG1 H 0.830 0.020 2 664 62 70 VAL HG2 H 0.880 0.020 2 665 62 70 VAL C C 174.200 0.400 1 666 62 70 VAL CA C 62.920 0.400 1 667 62 70 VAL CB C 28.290 0.400 1 668 62 70 VAL CG1 C 19.050 0.400 1 669 62 70 VAL CG2 C 17.730 0.400 1 670 62 70 VAL N N 116.300 0.400 1 671 63 71 LEU H H 6.729 0.020 1 672 63 71 LEU HA H 4.175 0.020 1 673 63 71 LEU HB2 H 1.510 0.020 2 674 63 71 LEU HB3 H 1.760 0.020 2 675 63 71 LEU HG H 1.400 0.020 1 676 63 71 LEU HD1 H 0.830 0.020 2 677 63 71 LEU HD2 H 0.620 0.020 2 678 63 71 LEU C C 175.700 0.400 1 679 63 71 LEU CA C 53.690 0.400 1 680 63 71 LEU CB C 39.770 0.400 1 681 63 71 LEU CG C 27.120 0.400 1 682 63 71 LEU CD1 C 22.680 0.400 1 683 63 71 LEU CD2 C 21.280 0.400 1 684 63 71 LEU N N 120.100 0.400 1 685 64 72 ARG H H 8.076 0.020 1 686 64 72 ARG HA H 3.624 0.020 1 687 64 72 ARG HB2 H 1.729 0.020 2 688 64 72 ARG HB3 H 1.700 0.020 2 689 64 72 ARG HG2 H 1.516 0.020 2 690 64 72 ARG HG3 H 1.386 0.020 2 691 64 72 ARG HD2 H 3.102 0.020 2 692 64 72 ARG HD3 H 3.283 0.020 2 693 64 72 ARG HH11 H 6.524 0.020 1 694 64 72 ARG HH12 H 6.524 0.020 1 695 64 72 ARG HH21 H 6.970 0.020 1 696 64 72 ARG HH22 H 6.970 0.020 1 697 64 72 ARG C C 175.500 0.400 1 698 64 72 ARG CA C 57.770 0.400 1 699 64 72 ARG CB C 27.540 0.400 1 700 64 72 ARG CG C 25.440 0.400 1 701 64 72 ARG CD C 41.260 0.400 1 702 64 72 ARG N N 119.100 0.400 1 703 64 72 ARG NH2 N 83.04 0.400 1 704 65 73 LYS H H 8.100 0.020 1 705 65 73 LYS HA H 3.897 0.020 1 706 65 73 LYS HB2 H 1.700 0.020 2 707 65 73 LYS HB3 H 1.756 0.020 2 708 65 73 LYS HG2 H 1.198 0.020 2 709 65 73 LYS HG3 H 1.350 0.020 2 710 65 73 LYS HD2 H 1.540 0.020 2 711 65 73 LYS HE2 H 2.736 0.020 2 712 65 73 LYS HE3 H 2.814 0.020 2 713 65 73 LYS HZ H 7.443 0.020 1 714 65 73 LYS C C 175.500 0.400 1 715 65 73 LYS CA C 57.190 0.400 1 716 65 73 LYS CB C 29.310 0.400 1 717 65 73 LYS CG C 22.050 0.400 1 718 65 73 LYS CD C 26.700 0.400 1 719 65 73 LYS CE C 39.510 0.400 1 720 65 73 LYS N N 119.100 0.400 1 721 66 74 ASN H H 7.614 0.020 1 722 66 74 ASN HA H 4.323 0.020 1 723 66 74 ASN HB2 H 2.706 0.020 2 724 66 74 ASN HB3 H 2.761 0.020 2 725 66 74 ASN HD21 H 6.752 0.020 2 726 66 74 ASN HD22 H 7.085 0.020 2 727 66 74 ASN C C 175.800 0.400 1 728 66 74 ASN CA C 53.340 0.400 1 729 66 74 ASN CB C 35.730 0.400 1 730 66 74 ASN N N 116.800 0.400 1 731 66 74 ASN ND2 N 109.100 0.400 1 732 67 75 LEU H H 8.317 0.020 1 733 67 75 LEU HA H 3.863 0.020 1 734 67 75 LEU HB2 H 1.681 0.020 2 735 67 75 LEU HB3 H 1.752 0.020 2 736 67 75 LEU HG H 1.385 0.020 1 737 67 75 LEU HD1 H 0.657 0.020 2 738 67 75 LEU HD2 H 0.840 0.020 2 739 67 75 LEU C C 175.400 0.400 1 740 67 75 LEU CA C 55.230 0.400 1 741 67 75 LEU CB C 38.970 0.400 1 742 67 75 LEU CG C 23.820 0.400 1 743 67 75 LEU CD1 C 21.310 0.400 1 744 67 75 LEU CD2 C 20.980 0.400 1 745 67 75 LEU N N 119.200 0.400 1 746 68 76 ASN H H 7.976 0.020 1 747 68 76 ASN HA H 4.364 0.020 1 748 68 76 ASN HB2 H 2.724 0.020 2 749 68 76 ASN HB3 H 2.825 0.020 2 750 68 76 ASN HD21 H 7.436 0.020 2 751 68 76 ASN HD22 H 6.595 0.020 2 752 68 76 ASN C C 173.900 0.400 1 753 68 76 ASN CA C 52.920 0.400 1 754 68 76 ASN CB C 36.180 0.400 1 755 68 76 ASN N N 116.700 0.400 1 756 68 76 ASN ND2 N 110.800 0.400 1 757 69 77 GLU H H 7.590 0.020 1 758 69 77 GLU HA H 4.210 0.020 1 759 69 77 GLU HB2 H 1.840 0.020 2 760 69 77 GLU HB3 H 2.023 0.020 2 761 69 77 GLU HG2 H 2.180 0.020 2 762 69 77 GLU HG3 H 2.367 0.020 2 763 69 77 GLU C C 173.700 0.400 1 764 69 77 GLU CA C 53.160 0.400 1 765 69 77 GLU CB C 27.730 0.400 1 766 69 77 GLU CG C 33.710 0.400 1 767 69 77 GLU N N 115.100 0.400 1 768 70 78 SER H H 7.110 0.020 1 769 70 78 SER HB2 H 3.880 0.020 1 770 70 78 SER HB3 H 3.880 0.020 1 771 70 78 SER C C 172.700 0.400 1 772 70 78 SER CA C 57.020 0.400 1 773 70 78 SER CB C 60.660 0.400 1 774 70 78 SER N N 114.900 0.400 1 775 71 79 VAL H H 8.515 0.020 1 776 71 79 VAL HA H 4.150 0.020 1 777 71 79 VAL HB H 1.970 0.020 1 778 71 79 VAL HG1 H 0.840 0.020 2 779 71 79 VAL HG2 H 0.840 0.020 2 780 71 79 VAL C C 173.100 0.400 1 781 71 79 VAL CA C 59.950 0.400 1 782 71 79 VAL CB C 29.910 0.400 1 783 71 79 VAL CG1 C 18.490 0.400 1 784 71 79 VAL CG2 C 17.730 0.400 1 785 71 79 VAL N N 125.300 0.400 1 786 72 80 GLN H H 7.486 0.020 1 787 72 80 GLN HA H 4.505 0.020 1 788 72 80 GLN HB2 H 1.860 0.020 2 789 72 80 GLN HB3 H 1.972 0.020 2 790 72 80 GLN HG2 H 2.162 0.020 2 791 72 80 GLN HG3 H 2.107 0.020 2 792 72 80 GLN HE21 H 7.582 0.020 2 793 72 80 GLN HE22 H 6.835 0.020 2 794 72 80 GLN C C 169.300 0.400 1 795 72 80 GLN CA C 50.750 0.400 1 796 72 80 GLN CB C 27.080 0.400 1 797 72 80 GLN CG C 31.180 0.400 1 798 72 80 GLN N N 121.200 0.400 1 799 72 80 GLN NE2 N 113.200 0.400 1 800 73 81 PRO HA H 4.535 0.020 1 801 73 81 PRO HB2 H 1.395 0.020 2 802 73 81 PRO HB3 H 1.318 0.020 2 803 73 81 PRO HG2 H 1.924 0.020 2 804 73 81 PRO HG3 H 1.458 0.020 2 805 73 81 PRO HD2 H 3.461 0.020 2 806 73 81 PRO HD3 H 3.561 0.020 2 807 73 81 PRO C C 173.300 0.400 1 808 73 81 PRO CA C 60.050 0.400 1 809 73 81 PRO CB C 31.530 0.400 1 810 73 81 PRO CG C 26.59 0.400 1 811 73 81 PRO CD C 47.280 0.400 1 812 74 82 THR H H 7.944 0.020 1 813 74 82 THR HA H 4.191 0.020 1 814 74 82 THR HB H 3.924 0.020 1 815 74 82 THR HG2 H 1.051 0.020 1 816 74 82 THR C C 170.400 0.400 1 817 74 82 THR CA C 60.240 0.400 1 818 74 82 THR CB C 68.140 0.400 1 819 74 82 THR CG2 C 18.870 0.400 1 820 74 82 THR N N 116.900 0.400 1 821 75 83 VAL H H 8.812 0.020 1 822 75 83 VAL HA H 4.755 0.020 1 823 75 83 VAL HB H 1.845 0.020 1 824 75 83 VAL HG1 H 0.661 0.020 2 825 75 83 VAL HG2 H 0.818 0.020 2 826 75 83 VAL C C 172.600 0.400 1 827 75 83 VAL CA C 58.970 0.400 1 828 75 83 VAL CB C 29.480 0.400 1 829 75 83 VAL CG1 C 20.890 0.400 1 830 75 83 VAL CG2 C 17.460 0.400 1 831 75 83 VAL N N 129.100 0.400 1 832 76 84 VAL H H 9.166 0.020 1 833 76 84 VAL HA H 4.023 0.020 1 834 76 84 VAL HB H 1.802 0.020 1 835 76 84 VAL HG1 H 0.700 0.020 2 836 76 84 VAL HG2 H 0.710 0.020 2 837 76 84 VAL C C 169.600 0.400 1 838 76 84 VAL CA C 58.750 0.400 1 839 76 84 VAL CB C 30.790 0.400 1 840 76 84 VAL CG1 C 19.870 0.400 1 841 76 84 VAL CG2 C 18.590 0.400 1 842 76 84 VAL N N 130.500 0.400 1 843 77 85 ALA H H 8.203 0.020 1 844 77 85 ALA HA H 4.978 0.020 1 845 77 85 ALA HB H 1.029 0.020 1 846 77 85 ALA C C 174.500 0.400 1 847 77 85 ALA CA C 46.810 0.400 1 848 77 85 ALA CB C 17.720 0.400 1 849 77 85 ALA N N 128.700 0.400 1 850 78 86 LEU H H 8.877 0.020 1 851 78 86 LEU HA H 4.583 0.020 1 852 78 86 LEU HB2 H 1.691 0.020 2 853 78 86 LEU HB3 H 1.689 0.020 2 854 78 86 LEU HD1 H 0.790 0.020 2 855 78 86 LEU HD2 H 0.958 0.020 2 856 78 86 LEU C C 173.500 0.400 1 857 78 86 LEU CA C 50.780 0.400 1 858 78 86 LEU CB C 38.950 0.400 1 859 78 86 LEU CD1 C 23.650 0.400 1 860 78 86 LEU CD2 C 20.890 0.400 1 861 78 86 LEU N N 123.400 0.400 1 862 79 87 GLY H H 8.250 0.020 1 863 79 87 GLY HA2 H 3.650 0.020 2 864 79 87 GLY HA3 H 3.790 0.020 2 865 79 87 GLY C C 172.000 0.400 1 866 79 87 GLY CA C 41.750 0.400 1 867 79 87 GLY N N 106.700 0.400 1 868 80 88 GLY H H 8.227 0.020 1 869 80 88 GLY HA2 H 3.994 0.020 2 870 80 88 GLY HA3 H 3.990 0.020 2 871 80 88 GLY C C 171.400 0.400 1 872 80 88 GLY CA C 42.220 0.400 1 873 80 88 GLY N N 107.600 0.400 1 874 81 89 SER H H 8.460 0.020 1 875 81 89 SER HA H 4.370 0.020 1 876 81 89 SER HB2 H 3.995 0.020 2 877 81 89 SER HB3 H 3.907 0.020 2 878 81 89 SER C C 172.600 0.400 1 879 81 89 SER CA C 55.880 0.400 1 880 81 89 SER CB C 61.190 0.400 1 881 81 89 SER N N 115.400 0.400 1 882 82 90 GLY H H 8.515 0.020 1 883 82 90 GLY HA2 H 4.680 0.020 1 884 82 90 GLY HA3 H 4.680 0.020 1 885 82 90 GLY C C 171.600 0.400 1 886 82 90 GLY CA C 42.800 0.400 1 887 82 90 GLY N N 110.900 0.400 1 888 83 91 SER H H 8.161 0.020 1 889 83 91 SER HA H 4.670 0.020 1 890 83 91 SER HB2 H 3.850 0.020 1 891 83 91 SER HB3 H 3.850 0.020 1 892 83 91 SER CA C 55.930 0.400 1 893 83 91 SER CB C 60.920 0.400 1 894 83 91 SER N N 115.500 0.400 1 895 85 93 SER HA H 4.318 0.020 1 896 85 93 SER HB2 H 3.937 0.020 1 897 85 93 SER HB3 H 3.937 0.020 1 898 85 93 SER CA C 55.880 0.400 1 899 85 93 SER CB C 61.140 0.400 1 900 86 94 THR H H 8.172 0.020 1 901 86 94 THR HA H 4.027 0.020 1 902 86 94 THR HB H 3.807 0.020 1 903 86 94 THR CA C 59.470 0.400 1 904 86 94 THR CB C 66.820 0.400 1 905 86 94 THR N N 115.500 0.400 1 906 87 95 SER H H 8.172 0.020 1 907 87 95 SER HA H 4.320 0.020 1 908 87 95 SER HB2 H 3.930 0.020 1 909 87 95 SER HB3 H 3.930 0.020 1 910 87 95 SER C C 171.700 0.400 1 911 87 95 SER CA C 55.890 0.400 1 912 87 95 SER CB C 61.000 0.400 1 913 87 95 SER N N 123.600 0.400 1 914 88 96 LEU H H 8.135 0.020 1 915 88 96 LEU HA H 4.660 0.020 1 916 88 96 LEU HB2 H 1.520 0.020 1 917 88 96 LEU HB3 H 1.520 0.020 1 918 88 96 LEU C C 174.100 0.400 1 919 88 96 LEU CA C 52.030 0.400 1 920 88 96 LEU CB C 39.360 0.400 1 921 88 96 LEU CG C 23.990 0.400 1 922 88 96 LEU CD1 C 22.220 0.400 1 923 88 96 LEU CD2 C 20.580 0.400 1 924 88 96 LEU N N 123.700 0.400 1 925 89 97 ARG H H 7.920 0.020 1 926 89 97 ARG C C 172.200 0.400 1 927 89 97 ARG CA C 53.860 0.400 1 928 89 97 ARG CB C 26.540 0.400 1 929 89 97 ARG N N 120.700 0.400 1 930 90 98 GLU HA H 4.089 0.020 1 931 90 98 GLU HB2 H 1.915 0.020 2 932 90 98 GLU HB3 H 1.910 0.020 2 933 90 98 GLU HG2 H 2.128 0.020 2 934 90 98 GLU HG3 H 1.968 0.020 2 935 90 98 GLU CA C 56.450 0.400 1 936 90 98 GLU CB C 27.280 0.400 1 937 90 98 GLU CG C 33.320 0.400 1 938 91 99 LYS H H 7.848 0.020 1 939 91 99 LYS HA H 4.040 0.020 1 940 91 99 LYS HB2 H 1.740 0.020 1 941 91 99 LYS HB3 H 1.740 0.020 1 942 91 99 LYS HE2 H 3.040 0.020 2 943 91 99 LYS HE3 H 3.048 0.020 2 944 91 99 LYS C C 176.300 0.400 1 945 91 99 LYS CA C 54.240 0.400 1 946 91 99 LYS CB C 29.730 0.400 1 947 91 99 LYS N N 120.400 0.400 1 948 92 100 ILE H H 7.660 0.020 1 949 92 100 ILE HA H 3.724 0.020 1 950 92 100 ILE HB H 1.829 0.020 1 951 92 100 ILE HG2 H 1.380 0.020 1 952 92 100 ILE HD1 H 0.690 0.020 1 953 92 100 ILE C C 173.600 0.400 1 954 92 100 ILE CA C 59.600 0.400 1 955 92 100 ILE CB C 39.520 0.400 1 956 92 100 ILE N N 113.600 0.400 1 957 93 101 LYS H H 8.048 0.020 1 958 93 101 LYS HA H 3.713 0.020 1 959 93 101 LYS HE2 H 2.980 0.020 1 960 93 101 LYS HE3 H 2.980 0.020 1 961 93 101 LYS C C 175.100 0.400 1 962 93 101 LYS CA C 58.43 0.400 1 963 93 101 LYS CB C 27.740 0.400 1 964 93 101 LYS N N 122.700 0.400 1 965 94 102 GLN H H 8.330 0.020 1 966 94 102 GLN HA H 3.890 0.020 1 967 94 102 GLN HG2 H 2.136 0.020 2 968 94 102 GLN HG3 H 2.448 0.020 2 969 94 102 GLN HE21 H 7.500 0.020 2 970 94 102 GLN HE22 H 6.720 0.020 2 971 94 102 GLN CA C 55.640 0.400 1 972 94 102 GLN CB C 25.950 0.400 1 973 94 102 GLN N N 119.300 0.400 1 974 94 102 GLN NE2 N 111.600 0.400 1 975 95 103 ALA H H 7.886 0.020 1 976 95 103 ALA HA H 4.172 0.020 1 977 95 103 ALA CA C 52.040 0.400 1 978 95 103 ALA CB C 16.970 0.400 1 979 95 103 ALA N N 119.800 0.400 1 980 96 104 VAL HA H 4.271 0.020 1 981 96 104 VAL HB H 2.215 0.020 1 982 96 104 VAL HG1 H 0.853 0.020 2 983 96 104 VAL HG2 H 0.796 0.020 2 984 96 104 VAL C C 174.000 0.400 1 985 96 104 VAL CA C 59.020 0.400 1 986 96 104 VAL CB C 30.650 0.400 1 987 96 104 VAL CG1 C 18.820 0.400 1 988 96 104 VAL CG2 C 18.420 0.400 1 989 96 104 VAL N N 110.300 0.400 1 990 97 105 GLY H H 7.864 0.020 1 991 97 105 GLY HA2 H 3.717 0.020 2 992 97 105 GLY HA3 H 4.048 0.020 2 993 97 105 GLY C C 171.200 0.400 1 994 97 105 GLY CA C 42.490 0.400 1 995 97 105 GLY N N 108.900 0.400 1 996 98 106 VAL H H 7.966 0.020 1 997 98 106 VAL HA H 4.170 0.020 1 998 98 106 VAL C C 172.800 0.400 1 999 98 106 VAL CA C 59.360 0.400 1 1000 98 106 VAL CB C 29.830 0.400 1 1001 98 106 VAL N N 118.500 0.400 1 1002 99 107 ASP H H 7.714 0.020 1 1003 99 107 ASP HA H 4.649 0.020 1 1004 99 107 ASP HB2 H 2.304 0.020 2 1005 99 107 ASP HB3 H 2.614 0.020 2 1006 99 107 ASP C C 173.100 0.400 1 1007 99 107 ASP CA C 51.630 0.400 1 1008 99 107 ASP CB C 38.600 0.400 1 1009 99 107 ASP N N 122.600 0.400 1 1010 100 108 LEU H H 7.832 0.020 1 1011 100 108 LEU HA H 4.022 0.020 1 1012 100 108 LEU HB2 H 0.994 0.020 2 1013 100 108 LEU HB3 H 1.282 0.020 2 1014 100 108 LEU HG H 0.874 0.020 1 1015 100 108 LEU HD1 H 0.503 0.020 2 1016 100 108 LEU HD2 H 1.097 0.020 2 1017 100 108 LEU C C 173.400 0.400 1 1018 100 108 LEU CA C 52.680 0.400 1 1019 100 108 LEU CB C 39.240 0.400 1 1020 100 108 LEU CG C 28.650 0.400 1 1021 100 108 LEU CD1 C 23.080 0.400 1 1022 100 108 LEU CD2 C 21.470 0.400 1 1023 100 108 LEU N N 122.600 0.400 1 1024 101 109 TRP H H 7.924 0.020 1 1025 101 109 TRP HA H 4.534 0.020 1 1026 101 109 TRP HB2 H 2.991 0.020 2 1027 101 109 TRP HB3 H 3.266 0.020 2 1028 101 109 TRP HE1 H 9.985 0.020 1 1029 101 109 TRP HE3 H 7.497 0.020 1 1030 101 109 TRP HZ2 H 7.540 0.020 1 1031 101 109 TRP HZ3 H 7.612 0.020 1 1032 101 109 TRP C C 171.600 0.400 1 1033 101 109 TRP CA C 55.370 0.400 1 1034 101 109 TRP CB C 26.860 0.400 1 1035 101 109 TRP N N 119.700 0.400 1 1036 101 109 TRP NE1 N 129.100 0.400 1 1037 102 110 LYS H H 7.295 0.020 1 1038 102 110 LYS HA H 3.987 0.020 1 1039 102 110 LYS HB2 H 1.645 0.020 2 1040 102 110 LYS HB3 H 1.569 0.020 2 1041 102 110 LYS HG2 H 1.210 0.020 1 1042 102 110 LYS HG3 H 1.210 0.020 1 1043 102 110 LYS C C 178.200 0.400 1 1044 102 110 LYS CA C 55.250 0.400 1 1045 102 110 LYS CB C 30.750 0.400 1 1046 102 110 LYS CE C 39.570 0.400 1 1047 102 110 LYS N N 126.200 0.400 1 stop_ save_