data_7185 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; An ARC/MEDIATOR subunit required for SREBP gene activation and regulation of cholesterol and fatty acid homeostasis ; _BMRB_accession_number 7185 _BMRB_flat_file_name bmr7185.str _Entry_type original _Submission_date 2006-06-21 _Accession_date 2006-07-14 _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 Wagner G. . . 2 Vought B. W. . 3 Sun Y.J. Z. . 4 Hyberts S. G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 312 "13C chemical shifts" 254 "15N chemical shifts" 75 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-10-11 original author . stop_ _Original_release_date 2006-10-11 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'An ARC/Mediator subunit required for SREBP control of cholesterol and lipid homeostasis' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16799563 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang F. . . 2 Vought B. W. . 3 Satterlee J. S. . 4 Walker A. K. . 5 Jim_Sun Z. Y. . 6 Watts J. L. . 7 DeBeaumont R. . . 8 Saito R. M. . 9 Hyberts S. G. . 10 Yang S. . . 11 Macol C. . . 12 Iyer L. . . 13 Tjian R. . . 14 'van den Heuvel' S. . . 15 Hart A. C. . 16 Wagner G. . . 17 Naar A. M. . stop_ _Journal_abbreviation Nature _Journal_volume 442 _Journal_issue 7103 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 700 _Page_last 704 _Year 2006 _Details . loop_ _Keyword '3 HELICAL BUNDLE' KIX stop_ save_ ################################## # Molecular system description # ################################## save_system _Saveframe_category molecular_system _Mol_system_name 'Positive cofactor 2 glutamine/Q-rich-associated protein' _Abbreviation_common 'Positive cofactor 2 glutamine/Q-rich-associated protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Positive cofactor 2 glutamine/Q-rich-associated protein' $ARC-MEDIATOR stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ARC-MEDIATOR _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Positive cofactor 2 glutamine/Q-rich-associated protein' _Abbreviation_common 'Positive cofactor 2 glutamine/Q-rich-associated protein' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; GAMGQETDWRSTAFRQKLVS QIEDAMRKAGVAHSKSSKDM ESHVFLKAKTRDEYLSLVAR LIIHFRDIHNKKSQASV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 ALA 3 3 MET 4 4 GLY 5 5 GLN 6 6 GLU 7 7 THR 8 8 ASP 9 9 TRP 10 10 ARG 11 11 SER 12 12 THR 13 13 ALA 14 14 PHE 15 15 ARG 16 16 GLN 17 17 LYS 18 18 LEU 19 19 VAL 20 20 SER 21 21 GLN 22 22 ILE 23 23 GLU 24 24 ASP 25 25 ALA 26 26 MET 27 27 ARG 28 28 LYS 29 29 ALA 30 30 GLY 31 31 VAL 32 32 ALA 33 33 HIS 34 34 SER 35 35 LYS 36 36 SER 37 37 SER 38 38 LYS 39 39 ASP 40 40 MET 41 41 GLU 42 42 SER 43 43 HIS 44 44 VAL 45 45 PHE 46 46 LEU 47 47 LYS 48 48 ALA 49 49 LYS 50 50 THR 51 51 ARG 52 52 ASP 53 53 GLU 54 54 TYR 55 55 LEU 56 56 SER 57 57 LEU 58 58 VAL 59 59 ALA 60 60 ARG 61 61 LEU 62 62 ILE 63 63 ILE 64 64 HIS 65 65 PHE 66 66 ARG 67 67 ASP 68 68 ILE 69 69 HIS 70 70 ASN 71 71 LYS 72 72 LYS 73 73 SER 74 74 GLN 75 75 ALA 76 76 SER 77 77 VAL 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 2GUT "Solution Structure Of The Trans-Activation Domain Of The Human Co-Activator Arc105" 100.00 77 100.00 100.00 1.31e-47 DBJ BAC03446 "FLJ00386 protein [Homo sapiens]" 96.10 811 100.00 100.00 2.25e-39 DBJ BAD21436 "mFLJ00386 protein [Mus musculus]" 96.10 769 98.65 98.65 1.37e-38 DBJ BAE38826 "unnamed protein product [Mus musculus]" 71.43 639 100.00 100.00 4.03e-25 DBJ BAE41448 "unnamed protein product [Mus musculus]" 96.10 766 98.65 98.65 7.75e-39 DBJ BAG57747 "unnamed protein product [Homo sapiens]" 67.53 718 100.00 100.00 1.95e-24 EMBL CAG30423 "PCQAP [Homo sapiens]" 96.10 674 100.00 100.00 9.09e-39 EMBL CAK54568 "PCQAP [synthetic construct]" 96.10 674 100.00 100.00 9.09e-39 EMBL CAK54867 "PCQAP [synthetic construct]" 96.10 674 100.00 100.00 9.09e-39 GB AAC12944 "TPA inducible protein [Homo sapiens]" 67.53 579 100.00 100.00 6.42e-23 GB AAH03078 "MED15 protein, partial [Homo sapiens]" 71.43 767 100.00 100.00 6.33e-26 GB AAH13985 "Mediator complex subunit 15 [Homo sapiens]" 96.10 748 100.00 100.00 1.86e-39 GB AAH54779 "Mediator complex subunit 15 [Mus musculus]" 96.10 749 98.65 98.65 1.50e-38 GB AAI42513 "MED15 protein [Bos taurus]" 96.10 711 97.30 97.30 4.95e-40 REF NP_001003891 "mediator of RNA polymerase II transcription subunit 15 isoform a [Homo sapiens]" 96.10 788 100.00 100.00 1.91e-39 REF NP_001035773 "mediator of RNA polymerase II transcription subunit 15 isoform b [Mus musculus]" 96.10 749 98.65 98.65 1.20e-38 REF NP_001092645 "mediator of RNA polymerase II transcription subunit 15 [Bos taurus]" 96.10 711 97.30 97.30 4.95e-40 REF NP_001101795 "mediator of RNA polymerase II transcription subunit 15 [Rattus norvegicus]" 96.10 790 98.65 98.65 1.12e-38 REF NP_001267180 "mediator of RNA polymerase II transcription subunit 15 [Pan troglodytes]" 96.10 768 100.00 100.00 2.54e-39 SP Q924H2 "RecName: Full=Mediator of RNA polymerase II transcription subunit 15; AltName: Full=Mediator complex subunit 15; AltName: Full=" 96.10 792 97.30 97.30 1.06e-37 SP Q96RN5 "RecName: Full=Mediator of RNA polymerase II transcription subunit 15; AltName: Full=Activator-recruited cofactor 105 kDa compon" 96.10 788 100.00 100.00 1.91e-39 TPG DAA20413 "TPA: mediator complex subunit 15 [Bos taurus]" 96.10 711 97.30 97.30 4.95e-40 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ARC-MEDIATOR Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ARC-MEDIATOR '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 $ARC-MEDIATOR 1 mM '[U-15N; U-13C]' NaCl 30 mM . 'phosphate buffer' 10 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_PROSA _Saveframe_category software _Name PROSA _Version 3.7 loop_ _Task processing stop_ _Details GUNTERT save_ save_CARA _Saveframe_category software _Name CARA _Version 1.5 loop_ _Task 'data analysis' stop_ _Details KELLER save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Task refinement 'structure solution' stop_ _Details GUNTERT save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $sample_1 save_ save_HNCOCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label $sample_1 save_ save_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCOCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCACB _Sample_label $sample_1 save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HNCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label $sample_1 save_ save_HN(COCA)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)NH _Sample_label $sample_1 save_ save_N15noesy_8 _Saveframe_category NMR_applied_experiment _Experiment_name N15noesy _Sample_label $sample_1 save_ save_tocsy_9 _Saveframe_category NMR_applied_experiment _Experiment_name tocsy _Sample_label $sample_1 save_ save_CCONH_10 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label $sample_1 save_ save_HCCONH_11 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label $sample_1 save_ save_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name aliphatic _Sample_label $sample_1 save_ save_aromatic-C13noesy_13 _Saveframe_category NMR_applied_experiment _Experiment_name aromatic-C13noesy _Sample_label $sample_1 save_ save_HCCHTOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 30 . mM pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label . C 13 . ppm . . . . . . $entry_citation $entry_citation . H 1 . ppm . . . . . . $entry_citation $entry_citation . N 15 . ppm . . . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Positive cofactor 2 glutamine/Q-rich-associated protein' _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 . 3 MET HA H 4.500 0.000 1 2 . 3 MET HB2 H 2.120 0.000 2 3 . 3 MET HB3 H 2.050 0.000 2 4 . 3 MET HG2 H 2.640 0.000 2 5 . 3 MET HG3 H 2.570 0.000 2 6 . 3 MET CA C 55.520 0.000 1 7 . 3 MET CB C 32.830 0.000 1 8 . 3 MET CG C 32.140 0.000 1 9 . 3 MET N N 115.030 0.000 1 10 . 4 GLY CA C 45.410 0.000 1 11 . 4 GLY N N 115.030 0.000 1 12 . 5 GLN HA H 4.380 0.000 1 13 . 5 GLN HB2 H 2.160 0.000 2 14 . 5 GLN HB3 H 2.000 0.000 2 15 . 5 GLN HG2 H 2.370 0.000 1 16 . 5 GLN CA C 55.850 0.000 1 17 . 5 GLN CB C 29.400 0.000 1 18 . 5 GLN CG C 33.770 0.000 1 19 . 5 GLN N N 109.810 0.000 1 20 . 6 GLU HA H 4.360 0.000 1 21 . 6 GLU HB2 H 2.110 0.000 2 22 . 6 GLU HB3 H 2.030 0.000 2 23 . 6 GLU HG2 H 2.320 0.000 1 24 . 6 GLU CA C 57.060 0.000 1 25 . 6 GLU CB C 30.030 0.000 1 26 . 6 GLU CG C 36.410 0.000 1 27 . 6 GLU N N 119.870 0.000 1 28 . 7 THR HA H 4.320 0.000 1 29 . 7 THR HB H 4.240 0.000 1 30 . 7 THR HG2 H 1.230 0.000 1 31 . 7 THR CA C 61.830 0.000 1 32 . 7 THR CB C 69.460 0.000 1 33 . 7 THR CG2 C 21.770 0.000 1 34 . 7 THR N N 113.640 0.000 1 35 . 8 ASP HA H 4.520 0.000 1 36 . 8 ASP HB2 H 2.770 0.000 2 37 . 8 ASP HB3 H 2.680 0.000 2 38 . 8 ASP CA C 54.700 0.000 1 39 . 8 ASP CB C 40.740 0.000 1 40 . 8 ASP N N 124.760 0.000 1 41 . 9 TRP HA H 3.400 0.000 1 42 . 9 TRP HB2 H 2.400 0.000 2 43 . 9 TRP HB3 H 3.220 0.000 2 44 . 9 TRP HD1 H 7.400 0.000 1 45 . 9 TRP HE3 H 7.160 0.000 1 46 . 9 TRP HZ2 H 7.080 0.000 1 47 . 9 TRP HZ3 H 6.410 0.000 1 48 . 9 TRP HH2 H 6.550 0.000 1 49 . 9 TRP CA C 57.120 0.000 1 50 . 9 TRP CB C 27.680 0.000 1 51 . 9 TRP CD1 C 126.090 0.000 1 52 . 9 TRP CE3 C 121.280 0.000 1 53 . 9 TRP CZ2 C 112.590 0.000 1 54 . 9 TRP CZ3 C 123.000 0.000 1 55 . 9 TRP CH2 C 124.320 0.000 1 56 . 9 TRP N N 125.510 0.000 1 57 . 10 ARG HA H 3.870 0.000 1 58 . 10 ARG HB2 H 1.650 0.000 2 59 . 10 ARG HB3 H 1.210 0.000 2 60 . 10 ARG HG2 H -0.230 0.000 2 61 . 10 ARG HG3 H -0.300 0.000 2 62 . 10 ARG HD2 H 2.560 0.000 1 63 . 10 ARG CA C 54.730 0.000 1 64 . 10 ARG CB C 29.060 0.000 1 65 . 10 ARG CG C 25.730 0.000 1 66 . 10 ARG CD C 42.670 0.000 1 67 . 10 ARG N N 112.150 0.000 1 68 . 11 SER HA H 4.310 0.000 1 69 . 11 SER HB2 H 4.250 0.000 2 70 . 11 SER HB3 H 4.070 0.000 2 71 . 11 SER CA C 57.550 0.000 1 72 . 11 SER CB C 65.080 0.000 1 73 . 11 SER N N 115.590 0.000 1 74 . 12 THR HA H 3.730 0.000 1 75 . 12 THR HB H 4.080 0.000 1 76 . 12 THR HG2 H 1.200 0.000 1 77 . 12 THR CA C 66.170 0.000 1 78 . 12 THR CB C 68.380 0.000 1 79 . 12 THR CG2 C 22.020 0.000 1 80 . 12 THR N N 119.010 0.000 1 81 . 13 ALA HA H 4.090 0.000 1 82 . 13 ALA HB H 1.430 0.000 1 83 . 13 ALA CA C 54.970 0.000 1 84 . 13 ALA CB C 18.340 0.000 1 85 . 13 ALA N N 119.010 0.000 1 86 . 14 PHE HA H 4.130 0.000 1 87 . 14 PHE HB2 H 3.350 0.000 2 88 . 14 PHE HB3 H 2.990 0.000 2 89 . 14 PHE HD1 H 7.500 0.000 1 90 . 14 PHE HE1 H 7.580 0.000 1 91 . 14 PHE HZ H 7.420 0.000 1 92 . 14 PHE CA C 61.260 0.000 1 93 . 14 PHE CB C 40.310 0.000 1 94 . 14 PHE CD1 C 133.360 0.000 1 95 . 14 PHE CE1 C 131.140 0.000 1 96 . 14 PHE CZ C 129.220 0.000 1 97 . 14 PHE N N 119.540 0.000 1 98 . 15 ARG HA H 4.330 0.000 1 99 . 15 ARG HB2 H 2.000 0.000 2 100 . 15 ARG HB3 H 1.430 0.000 2 101 . 15 ARG HG2 H 2.000 0.000 2 102 . 15 ARG HG3 H 1.790 0.000 2 103 . 15 ARG CA C 59.340 0.000 1 104 . 15 ARG CB C 31.590 0.000 1 105 . 15 ARG CG C 25.320 0.000 1 106 . 15 ARG CD C 43.880 0.000 1 107 . 15 ARG N N 118.030 0.000 1 108 . 16 GLN HA H 3.890 0.000 1 109 . 16 GLN HB2 H 2.180 0.000 2 110 . 16 GLN HB3 H 2.030 0.000 2 111 . 16 GLN HG2 H 2.440 0.000 1 112 . 16 GLN CA C 58.530 0.000 1 113 . 16 GLN CB C 27.910 0.000 1 114 . 16 GLN CG C 33.930 0.000 1 115 . 16 GLN N N 118.030 0.000 1 116 . 17 LYS HA H 4.090 0.000 1 117 . 17 LYS HB2 H 1.880 0.000 2 118 . 17 LYS HB3 H 1.830 0.000 2 119 . 17 LYS HG2 H 1.580 0.000 2 120 . 17 LYS HG3 H 1.380 0.000 2 121 . 17 LYS HD2 H 1.650 0.000 1 122 . 17 LYS HE2 H 2.910 0.000 1 123 . 17 LYS CA C 59.040 0.000 1 124 . 17 LYS CB C 31.530 0.000 1 125 . 17 LYS CG C 25.160 0.000 1 126 . 17 LYS CD C 29.000 0.000 1 127 . 17 LYS CE C 41.850 0.000 1 128 . 17 LYS N N 119.030 0.000 1 129 . 18 LEU HA H 4.200 0.000 1 130 . 18 LEU HB2 H 2.430 0.000 2 131 . 18 LEU HB3 H 1.530 0.000 2 132 . 18 LEU HG H 1.820 0.000 1 133 . 18 LEU HD1 H 0.890 0.000 2 134 . 18 LEU HD2 H 0.770 0.000 2 135 . 18 LEU CA C 56.860 0.000 1 136 . 18 LEU CB C 39.060 0.000 1 137 . 18 LEU CG C 27.940 0.000 1 138 . 18 LEU CD1 C 24.640 0.000 1 139 . 18 LEU CD2 C 24.500 0.000 1 140 . 18 LEU N N 122.120 0.000 1 141 . 19 VAL HA H 3.370 0.000 1 142 . 19 VAL HB H 2.200 0.000 1 143 . 19 VAL HG1 H 0.840 0.000 2 144 . 19 VAL HG2 H 1.040 0.000 2 145 . 19 VAL CA C 67.920 0.000 1 146 . 19 VAL CB C 31.230 0.000 1 147 . 19 VAL CG1 C 23.260 0.000 1 148 . 19 VAL CG2 C 21.940 0.000 1 149 . 19 VAL N N 121.020 0.000 1 150 . 20 SER HA H 4.240 0.000 1 151 . 20 SER HB2 H 4.000 0.000 1 152 . 20 SER CA C 61.860 0.000 1 153 . 20 SER CB C 62.740 0.000 1 154 . 20 SER N N 113.180 0.000 1 155 . 21 GLN HA H 4.170 0.000 1 156 . 21 GLN HB2 H 2.190 0.000 1 157 . 21 GLN HG2 H 2.650 0.000 2 158 . 21 GLN HG3 H 2.360 0.000 2 159 . 21 GLN CA C 59.220 0.000 1 160 . 21 GLN CB C 28.820 0.000 1 161 . 21 GLN CG C 34.310 0.000 1 162 . 21 GLN N N 121.590 0.000 1 163 . 22 ILE HA H 3.540 0.000 1 164 . 22 ILE HB H 2.010 0.000 1 165 . 22 ILE HG12 H 0.870 0.000 2 166 . 22 ILE HG13 H 0.820 0.000 2 167 . 22 ILE HG2 H 0.970 0.000 1 168 . 22 ILE HD1 H 0.880 0.000 1 169 . 22 ILE CA C 65.910 0.000 1 170 . 22 ILE CB C 38.620 0.000 1 171 . 22 ILE CG1 C 29.280 0.000 1 172 . 22 ILE CG2 C 18.300 0.000 1 173 . 22 ILE CD1 C 14.320 0.000 1 174 . 22 ILE N N 122.820 0.000 1 175 . 23 GLU HA H 3.920 0.000 1 176 . 23 GLU HB2 H 2.220 0.000 2 177 . 23 GLU HB3 H 2.080 0.000 2 178 . 23 GLU HG2 H 2.350 0.000 2 179 . 23 GLU HG3 H 2.220 0.000 2 180 . 23 GLU CA C 59.560 0.000 1 181 . 23 GLU CB C 29.050 0.000 1 182 . 23 GLU CG C 35.150 0.000 1 183 . 23 GLU N N 122.820 0.000 1 184 . 24 ASP HA H 4.320 0.000 1 185 . 24 ASP HB2 H 2.790 0.000 2 186 . 24 ASP HB3 H 2.630 0.000 2 187 . 24 ASP CA C 57.430 0.000 1 188 . 24 ASP CB C 41.360 0.000 1 189 . 24 ASP N N 118.130 0.000 1 190 . 25 ALA HA H 4.090 0.000 1 191 . 25 ALA HB H 1.690 0.000 1 192 . 25 ALA CA C 54.890 0.000 1 193 . 25 ALA CB C 19.040 0.000 1 194 . 25 ALA N N 121.050 0.000 1 195 . 26 MET HA H 3.260 0.000 1 196 . 26 MET HB2 H 1.860 0.000 2 197 . 26 MET HB3 H 1.670 0.000 2 198 . 26 MET HG2 H 2.080 0.000 2 199 . 26 MET HG3 H 0.930 0.000 2 200 . 26 MET CA C 59.650 0.000 1 201 . 26 MET CB C 33.090 0.000 1 202 . 26 MET CG C 31.550 0.000 1 203 . 26 MET N N 118.360 0.000 1 204 . 27 ARG HA H 4.080 0.000 1 205 . 27 ARG HB2 H 1.980 0.000 1 206 . 27 ARG HG2 H 1.810 0.000 2 207 . 27 ARG HG3 H 1.610 0.000 2 208 . 27 ARG HD2 H 3.200 0.000 1 209 . 27 ARG CA C 59.040 0.000 1 210 . 27 ARG CB C 29.980 0.000 1 211 . 27 ARG CG C 27.620 0.000 1 212 . 27 ARG CD C 43.260 0.000 1 213 . 27 ARG N N 119.960 0.000 1 214 . 28 LYS HA H 4.040 0.000 1 215 . 28 LYS HB2 H 1.890 0.000 2 216 . 28 LYS HB3 H 1.830 0.000 2 217 . 28 LYS HG2 H 1.530 0.000 2 218 . 28 LYS HG3 H 1.360 0.000 2 219 . 28 LYS HD2 H 1.570 0.000 1 220 . 28 LYS HE2 H 2.880 0.000 1 221 . 28 LYS CA C 58.800 0.000 1 222 . 28 LYS CB C 32.260 0.000 1 223 . 28 LYS CG C 25.900 0.000 1 224 . 28 LYS CD C 28.990 0.000 1 225 . 28 LYS CE C 41.920 0.000 1 226 . 28 LYS N N 120.150 0.000 1 227 . 29 ALA HA H 4.300 0.000 1 228 . 29 ALA HB H 1.650 0.000 1 229 . 29 ALA CA C 52.970 0.000 1 230 . 29 ALA CB C 19.900 0.000 1 231 . 29 ALA N N 118.880 0.000 1 232 . 30 GLY HA3 H 4.040 0.000 1 233 . 30 GLY CA C 46.230 0.000 1 234 . 30 GLY N N 105.830 0.000 1 235 . 31 VAL HA H 4.310 0.000 1 236 . 31 VAL HB H 2.080 0.000 1 237 . 31 VAL HG1 H 0.940 0.000 2 238 . 31 VAL HG2 H 0.810 0.000 2 239 . 31 VAL CA C 60.720 0.000 1 240 . 31 VAL CB C 32.950 0.000 1 241 . 31 VAL CG1 C 21.340 0.000 1 242 . 31 VAL CG2 C 19.980 0.000 1 243 . 31 VAL N N 114.000 0.000 1 244 . 32 ALA HA H 4.280 0.000 1 245 . 32 ALA HB H 1.300 0.000 1 246 . 32 ALA CA C 52.520 0.000 1 247 . 32 ALA CB C 18.920 0.000 1 248 . 32 ALA N N 126.870 0.000 1 249 . 33 HIS HA H 4.670 0.000 1 250 . 33 HIS HB2 H 3.180 0.000 2 251 . 33 HIS HB3 H 3.080 0.000 2 252 . 33 HIS HD2 H 7.120 0.000 1 253 . 33 HIS CA C 56.190 0.000 1 254 . 33 HIS CB C 31.230 0.000 1 255 . 33 HIS CD2 C 119.480 0.000 1 256 . 33 HIS N N 118.310 0.000 1 257 . 34 SER HA H 4.320 0.000 1 258 . 34 SER HB2 H 3.890 0.000 2 259 . 34 SER HB3 H 3.740 0.000 2 260 . 34 SER CA C 59.290 0.000 1 261 . 34 SER CB C 63.500 0.000 1 262 . 34 SER N N 113.590 0.000 1 263 . 35 LYS HA H 4.560 0.000 1 264 . 35 LYS HB2 H 1.820 0.000 2 265 . 35 LYS HB3 H 1.770 0.000 2 266 . 35 LYS HG2 H 1.500 0.000 2 267 . 35 LYS HG3 H 1.460 0.000 2 268 . 35 LYS HD2 H 1.680 0.000 1 269 . 35 LYS HE2 H 2.990 0.000 1 270 . 35 LYS CA C 55.240 0.000 1 271 . 35 LYS CB C 34.600 0.000 1 272 . 35 LYS CG C 25.160 0.000 1 273 . 35 LYS CD C 28.980 0.000 1 274 . 35 LYS CE C 41.880 0.000 1 275 . 35 LYS N N 113.590 0.000 1 276 . 36 SER HA H 4.650 0.000 1 277 . 36 SER HB2 H 4.190 0.000 2 278 . 36 SER HB3 H 3.980 0.000 2 279 . 36 SER CA C 56.890 0.000 1 280 . 36 SER CB C 64.600 0.000 1 281 . 36 SER N N 116.070 0.000 1 282 . 37 SER HA H 3.980 0.000 1 283 . 37 SER CA C 61.550 0.000 1 284 . 37 SER CB C 63.720 0.000 1 285 . 37 SER N N 120.920 0.000 1 286 . 38 LYS HA H 4.130 0.000 1 287 . 38 LYS HB2 H 1.840 0.000 1 288 . 38 LYS HG2 H 1.510 0.000 2 289 . 38 LYS HG3 H 1.430 0.000 2 290 . 38 LYS HD2 H 1.690 0.000 1 291 . 38 LYS HE2 H 2.980 0.000 1 292 . 38 LYS CA C 59.360 0.000 1 293 . 38 LYS CB C 32.560 0.000 1 294 . 38 LYS CG C 24.960 0.000 1 295 . 38 LYS CD C 29.040 0.000 1 296 . 38 LYS CE C 41.870 0.000 1 297 . 38 LYS N N 121.280 0.000 1 298 . 39 ASP HA H 4.460 0.000 1 299 . 39 ASP HB2 H 2.870 0.000 2 300 . 39 ASP HB3 H 2.680 0.000 2 301 . 39 ASP CA C 57.160 0.000 1 302 . 39 ASP CB C 40.470 0.000 1 303 . 39 ASP N N 121.280 0.000 1 304 . 40 MET HA H 4.250 0.000 1 305 . 40 MET HB2 H 2.260 0.000 2 306 . 40 MET HB3 H 2.140 0.000 2 307 . 40 MET HG2 H 2.830 0.000 2 308 . 40 MET HG3 H 2.620 0.000 2 309 . 40 MET CA C 59.080 0.000 1 310 . 40 MET CB C 33.120 0.000 1 311 . 40 MET CG C 33.100 0.000 1 312 . 40 MET N N 122.050 0.000 1 313 . 41 GLU HA H 3.840 0.000 1 314 . 41 GLU HB2 H 1.750 0.000 1 315 . 41 GLU HG2 H 2.450 0.000 2 316 . 41 GLU HG3 H 2.260 0.000 2 317 . 41 GLU CA C 60.940 0.000 1 318 . 41 GLU CB C 28.940 0.000 1 319 . 41 GLU CG C 35.230 0.000 1 320 . 41 GLU N N 119.030 0.000 1 321 . 42 SER HA H 4.050 0.000 1 322 . 42 SER HB2 H 3.870 0.000 1 323 . 42 SER CA C 61.780 0.000 1 324 . 42 SER CB C 62.170 0.000 1 325 . 42 SER N N 114.150 0.000 1 326 . 43 HIS HA H 4.400 0.000 1 327 . 43 HIS HB2 H 3.350 0.000 2 328 . 43 HIS HB3 H 3.300 0.000 2 329 . 43 HIS HD2 H 6.990 0.000 1 330 . 43 HIS CA C 59.620 0.000 1 331 . 43 HIS CB C 30.460 0.000 1 332 . 43 HIS CD2 C 120.920 0.000 1 333 . 43 HIS N N 118.620 0.000 1 334 . 44 VAL HA H 3.900 0.000 1 335 . 44 VAL HB H 2.450 0.000 1 336 . 44 VAL HG1 H 1.180 0.000 2 337 . 44 VAL HG2 H 1.240 0.000 2 338 . 44 VAL CA C 65.700 0.000 1 339 . 44 VAL CB C 31.510 0.000 1 340 . 44 VAL CG1 C 24.150 0.000 1 341 . 44 VAL CG2 C 21.570 0.000 1 342 . 44 VAL N N 113.830 0.000 1 343 . 45 PHE HA H 4.240 0.000 1 344 . 45 PHE HB2 H 3.670 0.000 2 345 . 45 PHE HB3 H 3.050 0.000 2 346 . 45 PHE HD1 H 6.830 0.000 1 347 . 45 PHE HE1 H 6.940 0.000 1 348 . 45 PHE HZ H 6.630 0.000 1 349 . 45 PHE CA C 62.730 0.000 1 350 . 45 PHE CB C 39.630 0.000 1 351 . 45 PHE CD1 C 131.460 0.000 1 352 . 45 PHE CE1 C 131.460 0.000 1 353 . 45 PHE CZ C 127.870 0.000 1 354 . 45 PHE N N 113.830 0.000 1 355 . 46 LEU HA H 3.960 0.000 1 356 . 46 LEU HB2 H 1.860 0.000 2 357 . 46 LEU HB3 H 1.570 0.000 2 358 . 46 LEU HG H 1.990 0.000 1 359 . 46 LEU HD1 H 0.950 0.000 2 360 . 46 LEU HD2 H 0.970 0.000 2 361 . 46 LEU CA C 56.700 0.000 1 362 . 46 LEU CB C 42.210 0.000 1 363 . 46 LEU CG C 27.290 0.000 1 364 . 46 LEU CD1 C 25.140 0.000 1 365 . 46 LEU CD2 C 23.410 0.000 1 366 . 46 LEU N N 114.700 0.000 1 367 . 47 LYS HA H 4.170 0.000 1 368 . 47 LYS HB2 H 1.810 0.000 1 369 . 47 LYS HG2 H 1.420 0.000 1 370 . 47 LYS HD2 H 1.580 0.000 1 371 . 47 LYS HE2 H 2.900 0.000 1 372 . 47 LYS CA C 56.550 0.000 1 373 . 47 LYS CB C 33.380 0.000 1 374 . 47 LYS CG C 24.710 0.000 1 375 . 47 LYS CD C 29.170 0.000 1 376 . 47 LYS CE C 41.690 0.000 1 377 . 47 LYS N N 116.810 0.000 1 378 . 48 ALA HA H 4.120 0.000 1 379 . 48 ALA HB H 1.580 0.000 1 380 . 48 ALA CA C 52.520 0.000 1 381 . 48 ALA CB C 20.050 0.000 1 382 . 48 ALA N N 122.460 0.000 1 383 . 49 LYS HA H 4.550 0.000 1 384 . 49 LYS HB2 H 1.980 0.000 2 385 . 49 LYS HB3 H 1.910 0.000 2 386 . 49 LYS HG2 H 1.640 0.000 2 387 . 49 LYS HG3 H 1.510 0.000 2 388 . 49 LYS HD2 H 1.730 0.000 1 389 . 49 LYS HE2 H 3.040 0.000 1 390 . 49 LYS CA C 56.250 0.000 1 391 . 49 LYS CB C 33.980 0.000 1 392 . 49 LYS CG C 25.140 0.000 1 393 . 49 LYS CD C 28.660 0.000 1 394 . 49 LYS CE C 41.640 0.000 1 395 . 49 LYS N N 122.460 0.000 1 396 . 50 THR HA H 4.480 0.000 1 397 . 50 THR HB H 4.410 0.000 1 398 . 50 THR HG2 H 1.160 0.000 1 399 . 50 THR CA C 58.200 0.000 1 400 . 50 THR CB C 73.430 0.000 1 401 . 50 THR CG2 C 21.830 0.000 1 402 . 50 THR N N 106.390 0.000 1 403 . 51 ARG HA H 4.450 0.000 1 404 . 51 ARG HB2 H 2.240 0.000 1 405 . 51 ARG HG2 H 1.290 0.000 2 406 . 51 ARG HG3 H 0.760 0.000 2 407 . 51 ARG HD2 H 3.130 0.000 1 408 . 51 ARG CA C 58.770 0.000 1 409 . 51 ARG CB C 30.360 0.000 1 410 . 51 ARG CG C 30.350 0.000 1 411 . 51 ARG CD C 43.210 0.000 1 412 . 51 ARG N N 122.510 0.000 1 413 . 52 ASP HA H 4.220 0.000 1 414 . 52 ASP HB2 H 2.550 0.000 2 415 . 52 ASP HB3 H 2.420 0.000 2 416 . 52 ASP CA C 57.070 0.000 1 417 . 52 ASP CB C 40.270 0.000 1 418 . 52 ASP N N 115.220 0.000 1 419 . 53 GLU HA H 3.970 0.000 1 420 . 53 GLU HB2 H 2.000 0.000 1 421 . 53 GLU HG2 H 2.390 0.000 2 422 . 53 GLU HG3 H 2.170 0.000 2 423 . 53 GLU CA C 59.190 0.000 1 424 . 53 GLU CB C 30.600 0.000 1 425 . 53 GLU CG C 36.510 0.000 1 426 . 53 GLU N N 121.370 0.000 1 427 . 54 TYR HA H 4.050 0.000 1 428 . 54 TYR HB2 H 2.940 0.000 1 429 . 54 TYR HD1 H 7.150 0.000 1 430 . 54 TYR HE1 H 7.150 0.000 1 431 . 54 TYR CA C 60.980 0.000 1 432 . 54 TYR CB C 39.040 0.000 1 433 . 54 TYR CD1 C 132.730 0.000 1 434 . 54 TYR CE1 C 119.430 0.000 1 435 . 54 TYR N N 120.230 0.000 1 436 . 55 LEU HA H 3.770 0.000 1 437 . 55 LEU HB2 H 1.880 0.000 2 438 . 55 LEU HB3 H 1.470 0.000 2 439 . 55 LEU HG H 2.090 0.000 1 440 . 55 LEU HD1 H 1.050 0.000 2 441 . 55 LEU HD2 H 1.100 0.000 2 442 . 55 LEU CA C 57.780 0.000 1 443 . 55 LEU CB C 41.010 0.000 1 444 . 55 LEU CG C 27.260 0.000 1 445 . 55 LEU CD1 C 25.970 0.000 1 446 . 55 LEU CD2 C 22.660 0.000 1 447 . 55 LEU N N 115.870 0.000 1 448 . 56 SER HA H 4.270 0.000 1 449 . 56 SER HB2 H 3.990 0.000 1 450 . 56 SER CA C 61.400 0.000 1 451 . 56 SER CB C 62.630 0.000 1 452 . 56 SER N N 115.710 0.000 1 453 . 57 LEU HA H 4.090 0.000 1 454 . 57 LEU HB2 H 2.160 0.000 2 455 . 57 LEU HB3 H 1.360 0.000 2 456 . 57 LEU HG H 1.980 0.000 1 457 . 57 LEU HD1 H 0.960 0.000 2 458 . 57 LEU HD2 H 0.910 0.000 2 459 . 57 LEU CA C 57.980 0.000 1 460 . 57 LEU CB C 42.560 0.000 1 461 . 57 LEU CG C 27.220 0.000 1 462 . 57 LEU CD1 C 26.170 0.000 1 463 . 57 LEU CD2 C 22.680 0.000 1 464 . 57 LEU N N 123.410 0.000 1 465 . 58 VAL HA H 3.540 0.000 1 466 . 58 VAL HB H 1.880 0.000 1 467 . 58 VAL HG1 H 0.720 0.000 2 468 . 58 VAL HG2 H 0.900 0.000 2 469 . 58 VAL CA C 67.470 0.000 1 470 . 58 VAL CB C 31.430 0.000 1 471 . 58 VAL CG1 C 23.500 0.000 1 472 . 58 VAL CG2 C 22.000 0.000 1 473 . 58 VAL N N 120.610 0.000 1 474 . 59 ALA HA H 4.030 0.000 1 475 . 59 ALA HB H 1.530 0.000 1 476 . 59 ALA CA C 55.450 0.000 1 477 . 59 ALA CB C 17.640 0.000 1 478 . 59 ALA N N 121.370 0.000 1 479 . 60 ARG HA H 3.980 0.000 1 480 . 60 ARG HB2 H 1.940 0.000 1 481 . 60 ARG HG2 H 1.700 0.000 1 482 . 60 ARG HD2 H 3.170 0.000 1 483 . 60 ARG CA C 59.060 0.000 1 484 . 60 ARG CB C 30.060 0.000 1 485 . 60 ARG CG C 27.430 0.000 1 486 . 60 ARG CD C 43.490 0.000 1 487 . 60 ARG N N 115.880 0.000 1 488 . 61 LEU HA H 4.090 0.000 1 489 . 61 LEU HB2 H 1.980 0.000 2 490 . 61 LEU HB3 H 1.800 0.000 2 491 . 61 LEU HG H 1.850 0.000 1 492 . 61 LEU HD1 H 0.950 0.000 1 493 . 61 LEU HD2 H 0.950 0.000 1 494 . 61 LEU CA C 57.710 0.000 1 495 . 61 LEU CB C 42.480 0.000 1 496 . 61 LEU CG C 26.860 0.000 1 497 . 61 LEU CD1 C 25.430 0.000 1 498 . 61 LEU CD2 C 24.630 0.000 1 499 . 61 LEU N N 122.220 0.000 1 500 . 62 ILE HA H 3.610 0.000 1 501 . 62 ILE HB H 1.980 0.000 1 502 . 62 ILE HG12 H 1.780 0.000 2 503 . 62 ILE HG13 H 1.040 0.000 2 504 . 62 ILE HG2 H 0.920 0.000 1 505 . 62 ILE HD1 H 0.810 0.000 1 506 . 62 ILE CA C 65.980 0.000 1 507 . 62 ILE CB C 37.840 0.000 1 508 . 62 ILE CG1 C 30.500 0.000 1 509 . 62 ILE CG2 C 17.340 0.000 1 510 . 62 ILE CD1 C 14.190 0.000 1 511 . 62 ILE N N 118.390 0.000 1 512 . 63 ILE HA H 3.640 0.000 1 513 . 63 ILE HB H 1.900 0.000 1 514 . 63 ILE HG12 H 1.610 0.000 2 515 . 63 ILE HG13 H 1.200 0.000 2 516 . 63 ILE HG2 H 0.920 0.000 1 517 . 63 ILE HD1 H 0.820 0.000 1 518 . 63 ILE CA C 64.680 0.000 1 519 . 63 ILE CB C 37.800 0.000 1 520 . 63 ILE CG1 C 29.640 0.000 1 521 . 63 ILE CG2 C 17.380 0.000 1 522 . 63 ILE CD1 C 12.840 0.000 1 523 . 63 ILE N N 120.130 0.000 1 524 . 64 HIS HA H 4.250 0.000 1 525 . 64 HIS HB2 H 3.240 0.000 2 526 . 64 HIS HB3 H 3.000 0.000 2 527 . 64 HIS HD2 H 5.580 0.000 1 528 . 64 HIS CA C 59.340 0.000 1 529 . 64 HIS CB C 29.260 0.000 1 530 . 64 HIS CD2 C 119.980 0.000 1 531 . 64 HIS N N 119.320 0.000 1 532 . 65 PHE HA H 4.220 0.000 1 533 . 65 PHE HB2 H 3.050 0.000 2 534 . 65 PHE HB3 H 2.850 0.000 2 535 . 65 PHE HD1 H 7.220 0.000 1 536 . 65 PHE HE1 H 7.280 0.000 1 537 . 65 PHE CA C 61.330 0.000 1 538 . 65 PHE CB C 38.700 0.000 1 539 . 65 PHE CD1 C 131.600 0.000 1 540 . 65 PHE CE1 C 131.600 0.000 1 541 . 65 PHE N N 114.900 0.000 1 542 . 66 ARG HA H 4.110 0.000 1 543 . 66 ARG HB2 H 2.040 0.000 2 544 . 66 ARG HB3 H 2.000 0.000 2 545 . 66 ARG HG2 H 1.870 0.000 2 546 . 66 ARG HG3 H 1.680 0.000 2 547 . 66 ARG HD2 H 3.140 0.000 1 548 . 66 ARG CA C 59.090 0.000 1 549 . 66 ARG CB C 30.270 0.000 1 550 . 66 ARG CG C 27.150 0.000 1 551 . 66 ARG CD C 43.610 0.000 1 552 . 66 ARG N N 121.260 0.000 1 553 . 67 ASP HA H 4.600 0.000 1 554 . 67 ASP HB2 H 2.720 0.000 1 555 . 67 ASP CA C 55.730 0.000 1 556 . 67 ASP CB C 40.610 0.000 1 557 . 67 ASP N N 119.020 0.000 1 558 . 68 ILE HA H 3.810 0.000 1 559 . 68 ILE HB H 1.920 0.000 1 560 . 68 ILE HG12 H 1.390 0.000 2 561 . 68 ILE HG13 H 1.040 0.000 2 562 . 68 ILE HG2 H 0.810 0.000 1 563 . 68 ILE HD1 H 0.720 0.000 1 564 . 68 ILE CA C 63.810 0.000 1 565 . 68 ILE CB C 38.080 0.000 1 566 . 68 ILE CG1 C 28.090 0.000 1 567 . 68 ILE CG2 C 17.320 0.000 1 568 . 68 ILE CD1 C 13.500 0.000 1 569 . 68 ILE N N 120.010 0.000 1 570 . 69 HIS HA H 4.540 0.000 1 571 . 69 HIS HB2 H 3.320 0.000 2 572 . 69 HIS HB3 H 3.060 0.000 2 573 . 69 HIS HD2 H 7.110 0.000 1 574 . 69 HIS CA C 57.580 0.000 1 575 . 69 HIS CB C 30.360 0.000 1 576 . 69 HIS CD2 C 120.590 0.000 1 577 . 69 HIS N N 119.750 0.000 1 578 . 70 ASN HA H 4.530 0.000 1 579 . 70 ASN HB2 H 2.860 0.000 1 580 . 70 ASN CA C 54.050 0.000 1 581 . 70 ASN CB C 38.530 0.000 1 582 . 70 ASN N N 118.760 0.000 1 583 . 71 LYS HA H 4.220 0.000 1 584 . 71 LYS HB2 H 1.870 0.000 2 585 . 71 LYS HB3 H 1.830 0.000 2 586 . 71 LYS HG2 H 1.500 0.000 2 587 . 71 LYS HG3 H 1.420 0.000 2 588 . 71 LYS HD2 H 1.680 0.000 1 589 . 71 LYS HE2 H 2.990 0.000 1 590 . 71 LYS CA C 57.090 0.000 1 591 . 71 LYS CB C 32.520 0.000 1 592 . 71 LYS CG C 24.980 0.000 1 593 . 71 LYS CD C 29.010 0.000 1 594 . 71 LYS CE C 41.950 0.000 1 595 . 71 LYS N N 120.520 0.000 1 596 . 72 LYS HA H 4.280 0.000 1 597 . 72 LYS HB2 H 1.870 0.000 2 598 . 72 LYS HB3 H 1.830 0.000 2 599 . 72 LYS HG2 H 1.510 0.000 2 600 . 72 LYS HG3 H 1.450 0.000 2 601 . 72 LYS HD2 H 1.690 0.000 1 602 . 72 LYS HE2 H 2.990 0.000 1 603 . 72 LYS CA C 56.880 0.000 1 604 . 72 LYS CB C 32.770 0.000 1 605 . 72 LYS CG C 25.050 0.000 1 606 . 72 LYS CD C 28.960 0.000 1 607 . 72 LYS CE C 41.950 0.000 1 608 . 72 LYS N N 120.760 0.000 1 609 . 73 SER HA H 4.400 0.000 1 610 . 73 SER HB2 H 3.860 0.000 2 611 . 73 SER HB3 H 3.820 0.000 2 612 . 73 SER CA C 58.530 0.000 1 613 . 73 SER CB C 63.620 0.000 1 614 . 73 SER N N 115.850 0.000 1 615 . 74 GLN HA H 4.330 0.000 1 616 . 74 GLN HB2 H 2.150 0.000 2 617 . 74 GLN HB3 H 1.990 0.000 2 618 . 74 GLN HG2 H 2.380 0.000 1 619 . 74 GLN CA C 55.670 0.000 1 620 . 74 GLN CB C 29.470 0.000 1 621 . 74 GLN CG C 33.650 0.000 1 622 . 74 GLN N N 121.700 0.000 1 623 . 75 ALA HA H 4.360 0.000 1 624 . 75 ALA HB H 1.400 0.000 1 625 . 75 ALA CA C 52.400 0.000 1 626 . 75 ALA CB C 19.390 0.000 1 627 . 75 ALA N N 121.700 0.000 1 628 . 76 SER HA H 4.480 0.000 1 629 . 76 SER HB2 H 3.860 0.000 1 630 . 76 SER CA C 58.140 0.000 1 631 . 76 SER CB C 63.730 0.000 1 632 . 76 SER N N 115.830 0.000 1 633 . 77 VAL HA H 4.050 0.000 1 634 . 77 VAL HB H 2.080 0.000 1 635 . 77 VAL HG1 H 0.890 0.000 2 636 . 77 VAL HG2 H 0.860 0.000 2 637 . 77 VAL CA C 63.500 0.000 1 638 . 77 VAL CB C 33.210 0.000 1 639 . 77 VAL CG1 C 21.550 0.000 1 640 . 77 VAL CG2 C 20.000 0.000 1 641 . 77 VAL N N 125.290 0.000 1 stop_ save_