data_15543 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution conformation of RNA-bound NELF-E RRM ; _BMRB_accession_number 15543 _BMRB_flat_file_name bmr15543.str _Entry_type new _Submission_date 2007-11-02 _Accession_date 2007-11-02 _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 Jampani 'N. Rao' . . 2 Schweimer Kristian . . 3 Wenzel Sabine . . 4 Woehrl Birgitta M. . 5 Roesch Paul . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 412 "13C chemical shifts" 224 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-11-03 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'RRMNELF-E RRM Undergoes Major Structural Changes in Flexible Protein Regions on Target RNA Binding' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18303858 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jampani 'N. Rao' . . 2 Schweimer Kristian . . 3 Wenzel Sabine . . 4 Woehrl Birgitta M. . 5 Roesch Paul . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 47 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3756 _Page_last 3761 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'rna bound nelfe-rrm' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label nelfe-rrm $rna_bound_nelfe-rrm TAR(49-57) $TAR(49-57) stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'NELF E RRM bound to TAR(49-57) RNA' save_ ######################## # Monomeric polymers # ######################## save_rna_bound_nelfe-rrm _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rna_bound_nelfe-rrm _Molecular_mass 9494.886 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 121 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MGPFRRSDSFPERRAPRKGN TLYVYGEDMTPTLLRGAFSP FGNIIDLSMDPPRNCAFVTY EKMESADQAVAELNGTQVES VQLKVNIARKQPMLDAATGK S ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 LEU 15 VAL 16 PRO 17 ARG 18 GLY 19 SER 20 HIS 21 MET 22 GLY 23 PRO 24 PHE 25 ARG 26 ARG 27 SER 28 ASP 29 SER 30 PHE 31 PRO 32 GLU 33 ARG 34 ARG 35 ALA 36 PRO 37 ARG 38 LYS 39 GLY 40 ASN 41 THR 42 LEU 43 TYR 44 VAL 45 TYR 46 GLY 47 GLU 48 ASP 49 MET 50 THR 51 PRO 52 THR 53 LEU 54 LEU 55 ARG 56 GLY 57 ALA 58 PHE 59 SER 60 PRO 61 PHE 62 GLY 63 ASN 64 ILE 65 ILE 66 ASP 67 LEU 68 SER 69 MET 70 ASP 71 PRO 72 PRO 73 ARG 74 ASN 75 CYS 76 ALA 77 PHE 78 VAL 79 THR 80 TYR 81 GLU 82 LYS 83 MET 84 GLU 85 SER 86 ALA 87 ASP 88 GLN 89 ALA 90 VAL 91 ALA 92 GLU 93 LEU 94 ASN 95 GLY 96 THR 97 GLN 98 VAL 99 GLU 100 SER 101 VAL 102 GLN 103 LEU 104 LYS 105 VAL 106 ASN 107 ILE 108 ALA 109 ARG 110 LYS 111 GLN 112 PRO 113 MET 114 LEU 115 ASP 116 ALA 117 ALA 118 THR 119 GLY 120 LYS 121 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 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 2BZ2 "Solution Structure Of Nelf E Rrm" 100.00 121 100.00 100.00 4.33e-84 PDB 2JX2 "Solution Conformation Of Rna-Bound Nelf-E Rrm" 100.00 121 100.00 100.00 4.33e-84 DBJ BAB28206 "unnamed protein product [Mus musculus]" 82.64 367 100.00 100.00 1.96e-65 DBJ BAE20893 "unnamed protein product [Mus musculus]" 82.64 367 100.00 100.00 1.96e-65 DBJ BAE27605 "unnamed protein product [Mus musculus]" 82.64 367 100.00 100.00 1.96e-65 DBJ BAG62393 "unnamed protein product [Homo sapiens]" 82.64 350 100.00 100.00 5.83e-66 DBJ BAG63891 "unnamed protein product [Homo sapiens]" 82.64 387 100.00 100.00 4.94e-65 EMBL CAA34231 "unnamed protein product [Homo sapiens]" 82.64 325 100.00 100.00 2.06e-65 EMBL CAE83971 "RD RNA-binding protein [Rattus norvegicus]" 82.64 369 100.00 100.00 1.63e-65 EMBL CAN87695 "RD RNA binding protein [Sus scrofa]" 82.64 378 99.00 100.00 1.67e-64 EMBL CAN87696 "RD RNA binding protein [Sus scrofa]" 82.64 373 99.00 100.00 1.66e-64 GB AAA36308 "MHC HLA-RD protein, partial [Homo sapiens]" 83.47 382 97.03 97.03 9.40e-62 GB AAA39680 "42 kd polypeptide (RD), (first expressed exon) [Mus musculus]" 82.64 375 100.00 100.00 1.91e-65 GB AAB67979 "RD [Homo sapiens]" 82.64 380 100.00 100.00 3.12e-65 GB AAC37523 "RD protein [Homo sapiens]" 82.64 380 100.00 100.00 3.12e-65 GB AAC84161 "RD [Mus musculus]" 82.64 342 100.00 100.00 1.14e-65 REF NP_001039328 "negative elongation factor E [Mus musculus]" 82.64 367 100.00 100.00 1.96e-65 REF NP_001039329 "negative elongation factor E [Mus musculus]" 82.64 367 100.00 100.00 1.96e-65 REF NP_001069672 "negative elongation factor E [Bos taurus]" 82.64 374 99.00 100.00 1.42e-64 REF NP_001095295 "negative elongation factor E [Sus scrofa]" 82.64 378 99.00 100.00 1.67e-64 REF NP_001159373 "negative elongation factor E [Rattus norvegicus]" 82.64 369 100.00 100.00 1.63e-65 SP P18615 "RecName: Full=Negative elongation factor E; Short=NELF-E; AltName: Full=RNA-binding protein RD" 82.64 380 100.00 100.00 3.12e-65 SP P19426 "RecName: Full=Negative elongation factor E; Short=NELF-E; AltName: Full=RNA-binding protein RD" 82.64 375 100.00 100.00 1.89e-65 SP Q0V898 "RecName: Full=Negative elongation factor E; Short=NELF-E; AltName: Full=RNA-binding protein RD" 82.64 374 99.00 100.00 1.42e-64 TPG DAA16391 "TPA: negative elongation factor E [Bos taurus]" 82.64 374 99.00 100.00 1.42e-64 stop_ save_ save_TAR(49-57) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class RNA _Name_common TAR(49-57) _Molecular_mass . _Mol_thiol_state 'not available' _Details . _Residue_count 9 _Mol_residue_sequence UAGGGAACC loop_ _Residue_seq_code _Residue_label 1 U 2 A 3 G 4 G 5 G 6 A 7 A 8 C 9 C stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rna_bound_nelfe-rrm Human 9606 Eukaryota Metazoa . . $TAR(49-57) . . . . . . 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 _Details $rna_bound_nelfe-rrm 'recombinant technology' . . . . pET15b . $TAR(49-57) 'obtained from a vendor' . . . . . 'biomers.net, Germany' 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 $rna_bound_nelfe-rrm 0.4 mM '[U-98% 13C; U-98% 15N]' $TAR(49-57) 0.8 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C 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 temperature 298 . K pH 6.9 . pH pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.00 n/a indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.00 n/a indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HCCH-TOCSY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name nelfe-rrm _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLY H H 8.08 0.03 1 2 2 2 GLY N N 109.84 0.20 1 3 13 13 GLY H H 8.33 0.03 1 4 13 13 GLY N N 110.49 0.20 1 5 17 17 ARG H H 8.39 0.03 1 6 17 17 ARG N N 121.87 0.20 1 7 22 22 GLY H H 7.93 0.03 1 8 22 22 GLY N N 109.99 0.20 1 9 29 29 SER H H 7.95 0.03 1 10 29 29 SER N N 114.81 0.20 1 11 30 30 PHE H H 8.08 0.03 1 12 30 30 PHE N N 122.33 0.20 1 13 32 32 GLU H H 8.47 0.03 1 14 32 32 GLU N N 120.56 0.20 1 15 35 35 ALA H H 8.24 0.03 1 16 35 35 ALA N N 126.42 0.20 1 17 37 37 ARG H H 8.37 0.03 1 18 37 37 ARG N N 121.03 0.20 1 19 38 38 LYS H H 8.15 0.03 1 20 38 38 LYS HA H 4.75 0.03 1 21 38 38 LYS HB2 H 1.80 0.03 2 22 38 38 LYS HB3 H 2.01 0.03 2 23 38 38 LYS HE3 H 3.09 0.03 2 24 38 38 LYS HG3 H 1.51 0.03 2 25 38 38 LYS CA C 54.19 0.30 1 26 38 38 LYS CB C 35.04 0.30 1 27 38 38 LYS N N 119.86 0.20 1 28 39 39 GLY H H 8.71 0.03 1 29 39 39 GLY HA3 H 4.05 0.03 2 30 39 39 GLY CA C 45.46 0.30 1 31 39 39 GLY N N 107.99 0.20 1 32 40 40 ASN H H 8.30 0.03 1 33 40 40 ASN HA H 4.85 0.03 1 34 40 40 ASN HB2 H 2.74 0.03 2 35 40 40 ASN HB3 H 3.31 0.03 2 36 40 40 ASN HD21 H 7.47 0.03 1 37 40 40 ASN HD22 H 6.36 0.03 1 38 40 40 ASN CA C 54.11 0.30 1 39 40 40 ASN CB C 37.84 0.30 1 40 40 40 ASN N N 115.65 0.20 1 41 40 40 ASN ND2 N 109.33 0.20 1 42 41 41 THR HA H 5.40 0.03 1 43 41 41 THR HB H 4.15 0.03 1 44 41 41 THR HG2 H 1.51 0.03 1 45 41 41 THR CA C 63.41 0.30 1 46 41 41 THR CB C 69.93 0.30 1 47 41 41 THR CG2 C 23.10 0.30 1 48 42 42 LEU H H 9.90 0.03 1 49 42 42 LEU HA H 5.09 0.03 1 50 42 42 LEU HB2 H 1.40 0.03 2 51 42 42 LEU HB3 H 1.72 0.03 2 52 42 42 LEU HD1 H 1.17 0.03 2 53 42 42 LEU HD2 H 1.03 0.03 2 54 42 42 LEU HG H 1.91 0.03 1 55 42 42 LEU CA C 53.26 0.30 1 56 42 42 LEU CB C 43.59 0.30 1 57 42 42 LEU CD1 C 27.72 0.30 2 58 42 42 LEU CD2 C 25.86 0.30 2 59 42 42 LEU CG C 27.04 0.30 1 60 42 42 LEU N N 127.87 0.20 1 61 43 43 TYR H H 9.19 0.03 1 62 43 43 TYR HA H 4.42 0.03 1 63 43 43 TYR HB2 H 2.58 0.03 2 64 43 43 TYR HB3 H 2.86 0.03 2 65 43 43 TYR CB C 40.31 0.30 1 66 43 43 TYR N N 124.14 0.20 1 67 44 44 VAL H H 7.98 0.03 1 68 44 44 VAL HA H 4.81 0.03 1 69 44 44 VAL HB H 1.42 0.03 1 70 44 44 VAL HG1 H 0.81 0.03 2 71 44 44 VAL HG2 H 0.54 0.03 2 72 44 44 VAL CA C 59.32 0.30 1 73 44 44 VAL CB C 34.36 0.30 1 74 44 44 VAL CG1 C 22.40 0.30 2 75 44 44 VAL CG2 C 22.06 0.30 2 76 44 44 VAL N N 127.36 0.20 1 77 45 45 TYR H H 9.02 0.03 1 78 45 45 TYR HA H 4.98 0.03 1 79 45 45 TYR HB3 H 2.81 0.03 2 80 45 45 TYR HD1 H 7.10 0.03 1 81 45 45 TYR HD2 H 7.10 0.03 1 82 45 45 TYR HE1 H 6.89 0.03 1 83 45 45 TYR HE2 H 6.89 0.03 1 84 45 45 TYR CA C 55.68 0.30 1 85 45 45 TYR CB C 42.21 0.30 1 86 45 45 TYR N N 126.39 0.20 1 87 46 46 GLY H H 7.51 0.03 1 88 46 46 GLY HA2 H 3.83 0.03 2 89 46 46 GLY HA3 H 3.83 0.03 2 90 46 46 GLY CA C 45.36 0.30 1 91 46 46 GLY N N 114.22 0.20 1 92 47 47 GLU H H 8.75 0.03 1 93 47 47 GLU HA H 3.99 0.03 1 94 47 47 GLU HB2 H 1.96 0.03 2 95 47 47 GLU HB3 H 1.88 0.03 2 96 47 47 GLU HG2 H 2.19 0.03 2 97 47 47 GLU HG3 H 2.29 0.03 2 98 47 47 GLU CA C 56.72 0.30 1 99 47 47 GLU CB C 30.46 0.30 1 100 47 47 GLU CG C 36.79 0.30 1 101 47 47 GLU N N 123.88 0.20 1 102 48 48 ASP H H 8.54 0.03 1 103 48 48 ASP HA H 4.25 0.03 1 104 48 48 ASP HB2 H 2.70 0.03 2 105 48 48 ASP HB3 H 2.90 0.03 2 106 48 48 ASP CA C 55.21 0.30 1 107 48 48 ASP CB C 39.15 0.30 1 108 48 48 ASP N N 117.20 0.20 1 109 49 49 MET H H 8.19 0.03 1 110 49 49 MET HA H 4.12 0.03 1 111 49 49 MET HB2 H 1.46 0.03 2 112 49 49 MET HB3 H 2.04 0.03 2 113 49 49 MET HE H 1.61 0.03 1 114 49 49 MET CA C 57.51 0.30 1 115 49 49 MET CB C 34.62 0.30 1 116 49 49 MET CE C 14.68 0.30 1 117 49 49 MET N N 114.56 0.20 1 118 50 50 THR H H 6.51 0.03 1 119 50 50 THR HA H 5.02 0.03 1 120 50 50 THR HB H 4.71 0.03 1 121 50 50 THR HG2 H 1.33 0.03 1 122 50 50 THR CA C 57.96 0.30 1 123 50 50 THR CB C 70.15 0.30 1 124 50 50 THR CG2 C 21.55 0.30 1 125 50 50 THR N N 108.06 0.20 1 126 51 51 PRO HA H 4.34 0.03 1 127 51 51 PRO HB2 H 2.12 0.03 2 128 51 51 PRO HB3 H 2.46 0.03 2 129 51 51 PRO HD3 H 4.15 0.03 2 130 51 51 PRO HG2 H 2.34 0.03 2 131 51 51 PRO HG3 H 2.19 0.03 2 132 51 51 PRO CA C 65.79 0.30 1 133 51 51 PRO CB C 31.78 0.30 1 134 51 51 PRO CD C 50.69 0.30 1 135 51 51 PRO CG C 27.89 0.30 1 136 52 52 THR H H 7.64 0.03 1 137 52 52 THR HA H 3.98 0.03 1 138 52 52 THR HB H 4.10 0.03 1 139 52 52 THR HG2 H 1.31 0.03 1 140 52 52 THR CA C 66.16 0.30 1 141 52 52 THR CB C 68.43 0.30 1 142 52 52 THR CG2 C 21.77 0.30 1 143 52 52 THR N N 111.52 0.20 1 144 53 53 LEU H H 7.81 0.03 1 145 53 53 LEU HA H 4.13 0.03 1 146 53 53 LEU HB2 H 1.77 0.03 2 147 53 53 LEU HB3 H 1.95 0.03 2 148 53 53 LEU HD1 H 1.03 0.03 2 149 53 53 LEU HD2 H 0.92 0.03 2 150 53 53 LEU HG H 1.66 0.03 1 151 53 53 LEU CA C 58.36 0.30 1 152 53 53 LEU CB C 42.97 0.30 1 153 53 53 LEU CD1 C 25.95 0.30 2 154 53 53 LEU CD2 C 25.60 0.30 2 155 53 53 LEU CG C 27.47 0.30 1 156 53 53 LEU N N 125.41 0.20 1 157 54 54 LEU H H 7.84 0.03 1 158 54 54 LEU HA H 4.26 0.03 1 159 54 54 LEU HB2 H 1.20 0.03 2 160 54 54 LEU HB3 H 1.98 0.03 2 161 54 54 LEU HD1 H 0.93 0.03 2 162 54 54 LEU HD2 H 0.65 0.03 2 163 54 54 LEU HG H 1.79 0.03 1 164 54 54 LEU CA C 57.58 0.30 1 165 54 54 LEU CB C 42.33 0.30 1 166 54 54 LEU CD1 C 23.15 0.30 2 167 54 54 LEU CD2 C 26.63 0.30 2 168 54 54 LEU CG C 27.15 0.30 1 169 54 54 LEU N N 117.15 0.20 1 170 55 55 ARG H H 9.02 0.03 1 171 55 55 ARG HA H 3.88 0.03 1 172 55 55 ARG HB2 H 1.95 0.03 2 173 55 55 ARG HB3 H 1.95 0.03 2 174 55 55 ARG HD2 H 3.20 0.03 2 175 55 55 ARG HD3 H 3.30 0.03 2 176 55 55 ARG HG2 H 1.63 0.03 2 177 55 55 ARG HG3 H 1.82 0.03 2 178 55 55 ARG CA C 60.89 0.30 1 179 55 55 ARG CB C 29.58 0.30 1 180 55 55 ARG CD C 42.91 0.30 1 181 55 55 ARG CG C 28.96 0.30 1 182 55 55 ARG N N 120.05 0.20 1 183 56 56 GLY H H 8.18 0.03 1 184 56 56 GLY HA2 H 3.94 0.03 2 185 56 56 GLY HA3 H 4.10 0.03 2 186 56 56 GLY CA C 47.21 0.30 1 187 56 56 GLY N N 106.70 0.20 1 188 57 57 ALA H H 7.83 0.03 1 189 57 57 ALA HA H 4.36 0.03 1 190 57 57 ALA HB H 1.41 0.03 1 191 57 57 ALA CA C 53.59 0.30 1 192 57 57 ALA CB C 19.05 0.30 1 193 57 57 ALA N N 120.27 0.20 1 194 58 58 PHE H H 8.60 0.03 1 195 58 58 PHE HA H 4.79 0.03 1 196 58 58 PHE HB2 H 3.11 0.03 2 197 58 58 PHE HB3 H 3.33 0.03 2 198 58 58 PHE HE1 H 8.02 0.03 1 199 58 58 PHE HE2 H 8.02 0.03 1 200 58 58 PHE HZ H 7.08 0.03 1 201 58 58 PHE CA C 60.21 0.30 1 202 58 58 PHE CB C 38.39 0.30 1 203 58 58 PHE N N 110.25 0.20 1 204 59 59 SER H H 8.61 0.03 1 205 59 59 SER HA H 4.81 0.03 1 206 59 59 SER HB2 H 4.33 0.03 2 207 59 59 SER HB3 H 4.33 0.03 2 208 59 59 SER CA C 63.54 0.30 1 209 59 59 SER CB C 62.91 0.30 1 210 59 59 SER N N 122.86 0.20 1 211 60 60 PRO HA H 4.28 0.03 1 212 60 60 PRO HB2 H 2.10 0.03 2 213 60 60 PRO HB3 H 0.58 0.03 2 214 60 60 PRO HD2 H 3.14 0.03 2 215 60 60 PRO HD3 H 3.86 0.03 2 216 60 60 PRO HG2 H 1.82 0.03 2 217 60 60 PRO HG3 H 1.82 0.03 2 218 60 60 PRO CA C 65.68 0.30 1 219 60 60 PRO CB C 31.42 0.30 1 220 60 60 PRO CD C 52.06 0.30 1 221 60 60 PRO CG C 28.13 0.30 1 222 61 61 PHE H H 6.85 0.03 1 223 61 61 PHE HA H 4.51 0.03 1 224 61 61 PHE HB2 H 2.92 0.03 2 225 61 61 PHE HB3 H 3.45 0.03 2 226 61 61 PHE HD1 H 7.34 0.03 1 227 61 61 PHE HD2 H 7.34 0.03 1 228 61 61 PHE HE1 H 7.41 0.03 1 229 61 61 PHE HE2 H 7.41 0.03 1 230 61 61 PHE HZ H 7.24 0.03 1 231 61 61 PHE CA C 58.31 0.30 1 232 61 61 PHE CB C 38.92 0.30 1 233 61 61 PHE N N 109.70 0.20 1 234 62 62 GLY H H 7.80 0.03 1 235 62 62 GLY HA2 H 4.09 0.03 2 236 62 62 GLY HA3 H 4.29 0.03 2 237 62 62 GLY CA C 45.29 0.30 1 238 62 62 GLY N N 106.52 0.20 1 239 63 63 ASN H H 8.52 0.03 1 240 63 63 ASN HA H 4.92 0.03 1 241 63 63 ASN HB2 H 2.94 0.03 2 242 63 63 ASN HB3 H 2.94 0.03 2 243 63 63 ASN HD21 H 7.83 0.03 1 244 63 63 ASN HD22 H 6.95 0.03 1 245 63 63 ASN CA C 52.93 0.30 1 246 63 63 ASN CB C 38.63 0.30 1 247 63 63 ASN N N 117.02 0.20 1 248 63 63 ASN ND2 N 112.71 0.20 1 249 64 64 ILE H H 8.75 0.03 1 250 64 64 ILE HA H 4.10 0.03 1 251 64 64 ILE HB H 1.77 0.03 1 252 64 64 ILE HD1 H 0.85 0.03 1 253 64 64 ILE HG12 H 0.29 0.03 2 254 64 64 ILE HG13 H 1.92 0.03 2 255 64 64 ILE HG2 H 0.70 0.03 1 256 64 64 ILE CA C 61.94 0.30 1 257 64 64 ILE CB C 38.78 0.30 1 258 64 64 ILE CD1 C 14.06 0.30 1 259 64 64 ILE CG1 C 28.06 0.30 1 260 64 64 ILE CG2 C 17.55 0.30 1 261 64 64 ILE N N 127.93 0.20 1 262 65 65 ILE H H 8.91 0.03 1 263 65 65 ILE HA H 4.49 0.03 1 264 65 65 ILE HB H 2.00 0.03 1 265 65 65 ILE HD1 H 0.86 0.03 1 266 65 65 ILE HG12 H 0.85 0.03 2 267 65 65 ILE HG13 H 1.16 0.03 2 268 65 65 ILE HG2 H 0.95 0.03 1 269 65 65 ILE CA C 61.31 0.30 1 270 65 65 ILE CB C 38.47 0.30 1 271 65 65 ILE CD1 C 13.73 0.30 1 272 65 65 ILE CG1 C 26.70 0.30 1 273 65 65 ILE CG2 C 17.93 0.30 1 274 65 65 ILE N N 124.53 0.20 1 275 66 66 ASP H H 7.52 0.03 1 276 66 66 ASP HA H 4.70 0.03 1 277 66 66 ASP HB2 H 2.35 0.03 2 278 66 66 ASP HB3 H 2.73 0.03 2 279 66 66 ASP CA C 55.52 0.30 1 280 66 66 ASP CB C 45.29 0.30 1 281 66 66 ASP N N 119.14 0.20 1 282 67 67 LEU H H 8.23 0.03 1 283 67 67 LEU HA H 4.98 0.03 1 284 67 67 LEU HB2 H 1.28 0.03 2 285 67 67 LEU HB3 H 1.82 0.03 2 286 67 67 LEU HD1 H 0.82 0.03 2 287 67 67 LEU HD2 H 1.45 0.03 2 288 67 67 LEU CA C 54.98 0.30 1 289 67 67 LEU CB C 44.44 0.30 1 290 67 67 LEU CD1 C 25.09 0.30 2 291 67 67 LEU CD2 C 28.59 0.30 2 292 67 67 LEU N N 127.89 0.20 1 293 68 68 SER H H 8.81 0.03 1 294 68 68 SER HA H 4.97 0.03 1 295 68 68 SER HB2 H 3.96 0.03 2 296 68 68 SER HB3 H 4.05 0.03 2 297 68 68 SER CA C 57.17 0.30 1 298 68 68 SER CB C 65.32 0.30 1 299 68 68 SER N N 122.56 0.20 1 300 69 69 MET H H 9.05 0.03 1 301 69 69 MET HA H 4.74 0.03 1 302 69 69 MET HE H 1.79 0.03 1 303 69 69 MET HG2 H 2.43 0.03 2 304 69 69 MET HG3 H 2.63 0.03 2 305 69 69 MET CA C 54.52 0.30 1 306 69 69 MET CE C 15.87 0.30 1 307 69 69 MET CG C 31.91 0.30 1 308 69 69 MET N N 122.42 0.20 1 309 70 70 ASP H H 8.62 0.03 1 310 70 70 ASP HA H 5.14 0.03 1 311 70 70 ASP HB2 H 2.28 0.03 2 312 70 70 ASP HB3 H 3.59 0.03 2 313 70 70 ASP CA C 51.41 0.30 1 314 70 70 ASP CB C 40.93 0.30 1 315 70 70 ASP N N 120.62 0.20 1 316 71 71 PRO HA H 4.76 0.03 1 317 71 71 PRO HD2 H 3.61 0.03 2 318 71 71 PRO HD3 H 3.85 0.03 2 319 71 71 PRO CA C 66.38 0.30 1 320 71 71 PRO CD C 49.73 0.30 1 321 72 72 PRO HA H 4.52 0.03 1 322 72 72 PRO HB2 H 1.77 0.03 2 323 72 72 PRO HB3 H 2.51 0.03 2 324 72 72 PRO HD2 H 3.75 0.03 2 325 72 72 PRO HD3 H 4.02 0.03 2 326 72 72 PRO HG2 H 2.17 0.03 2 327 72 72 PRO HG3 H 2.17 0.03 2 328 72 72 PRO CA C 65.75 0.30 1 329 72 72 PRO CB C 31.57 0.30 1 330 72 72 PRO CD C 50.22 0.30 1 331 73 73 ARG H H 7.36 0.03 1 332 73 73 ARG HA H 4.57 0.03 1 333 73 73 ARG HB2 H 1.66 0.03 2 334 73 73 ARG HB3 H 1.84 0.03 2 335 73 73 ARG HD2 H 3.36 0.03 2 336 73 73 ARG HD3 H 3.42 0.03 2 337 73 73 ARG HG3 H 2.40 0.03 2 338 73 73 ARG CA C 55.16 0.30 1 339 73 73 ARG CB C 29.00 0.30 1 340 73 73 ARG CD C 43.10 0.30 1 341 73 73 ARG CG C 31.25 0.30 1 342 73 73 ARG N N 114.56 0.20 1 343 74 74 ASN H H 8.44 0.03 1 344 74 74 ASN HA H 4.27 0.03 1 345 74 74 ASN HB2 H 2.44 0.03 2 346 74 74 ASN HB3 H 2.79 0.03 2 347 74 74 ASN HD21 H 7.18 0.03 1 348 74 74 ASN HD22 H 6.99 0.03 1 349 74 74 ASN CA C 53.83 0.30 1 350 74 74 ASN CB C 37.50 0.30 1 351 74 74 ASN N N 115.46 0.20 1 352 74 74 ASN ND2 N 112.83 0.20 1 353 75 75 CYS H H 7.27 0.03 1 354 75 75 CYS HA H 5.73 0.03 1 355 75 75 CYS HB3 H 2.52 0.03 2 356 75 75 CYS CA C 55.42 0.30 1 357 75 75 CYS CB C 32.64 0.30 1 358 75 75 CYS N N 127.18 0.20 1 359 76 76 ALA H H 8.59 0.03 1 360 76 76 ALA HB H 1.01 0.03 1 361 76 76 ALA CB C 24.40 0.30 1 362 76 76 ALA N N 122.12 0.20 1 363 77 77 PHE H H 8.78 0.03 1 364 77 77 PHE HA H 5.62 0.03 1 365 77 77 PHE CA C 55.85 0.30 1 366 77 77 PHE N N 115.39 0.20 1 367 78 78 VAL H H 8.58 0.03 1 368 78 78 VAL HA H 4.30 0.03 1 369 78 78 VAL HB H 1.45 0.03 1 370 78 78 VAL HG1 H 0.24 0.03 2 371 78 78 VAL HG2 H 0.06 0.03 2 372 78 78 VAL CA C 60.96 0.30 1 373 78 78 VAL CB C 34.36 0.30 1 374 78 78 VAL CG1 C 20.42 0.30 2 375 78 78 VAL CG2 C 19.33 0.30 2 376 78 78 VAL N N 126.44 0.20 1 377 79 79 THR H H 8.96 0.03 1 378 79 79 THR HA H 5.33 0.03 1 379 79 79 THR HB H 3.90 0.03 1 380 79 79 THR HG2 H 1.22 0.03 1 381 79 79 THR CA C 61.94 0.30 1 382 79 79 THR CB C 69.91 0.30 1 383 79 79 THR CG2 C 22.18 0.30 1 384 79 79 THR N N 123.99 0.20 1 385 80 80 TYR H H 8.88 0.03 1 386 80 80 TYR HA H 5.40 0.03 1 387 80 80 TYR HB2 H 2.79 0.03 2 388 80 80 TYR HB3 H 3.70 0.03 2 389 80 80 TYR CA C 57.66 0.30 1 390 80 80 TYR CB C 42.22 0.30 1 391 80 80 TYR N N 126.67 0.20 1 392 81 81 GLU H H 8.49 0.03 1 393 81 81 GLU HA H 4.11 0.03 1 394 81 81 GLU HB2 H 2.27 0.03 2 395 81 81 GLU HB3 H 2.33 0.03 2 396 81 81 GLU HG2 H 2.37 0.03 2 397 81 81 GLU HG3 H 2.52 0.03 2 398 81 81 GLU CA C 59.29 0.30 1 399 81 81 GLU CB C 31.21 0.30 1 400 81 81 GLU CG C 36.41 0.30 1 401 81 81 GLU N N 119.69 0.20 1 402 82 82 LYS H H 8.46 0.03 1 403 82 82 LYS HA H 5.02 0.03 1 404 82 82 LYS HB3 H 2.26 0.03 2 405 82 82 LYS HD3 H 1.86 0.03 2 406 82 82 LYS HE3 H 3.12 0.03 2 407 82 82 LYS HG2 H 1.61 0.03 2 408 82 82 LYS HG3 H 1.65 0.03 2 409 82 82 LYS CA C 54.14 0.30 1 410 82 82 LYS CB C 34.42 0.30 1 411 82 82 LYS CD C 29.06 0.30 1 412 82 82 LYS CE C 41.95 0.30 1 413 82 82 LYS CG C 25.00 0.30 1 414 82 82 LYS N N 113.92 0.20 1 415 83 83 MET H H 9.10 0.03 1 416 83 83 MET HA H 4.07 0.03 1 417 83 83 MET HB3 H 2.17 0.03 2 418 83 83 MET HG2 H 2.38 0.03 2 419 83 83 MET HG3 H 2.75 0.03 2 420 83 83 MET CA C 59.57 0.30 1 421 83 83 MET CB C 32.42 0.30 1 422 83 83 MET CG C 32.85 0.30 1 423 83 83 MET N N 122.53 0.20 1 424 84 84 GLU H H 9.69 0.03 1 425 84 84 GLU HA H 4.24 0.03 1 426 84 84 GLU HB3 H 2.14 0.03 2 427 84 84 GLU HG2 H 2.43 0.03 2 428 84 84 GLU HG3 H 2.55 0.03 2 429 84 84 GLU CA C 60.04 0.30 1 430 84 84 GLU CB C 28.64 0.30 1 431 84 84 GLU CG C 36.78 0.30 1 432 84 84 GLU N N 117.94 0.20 1 433 85 85 SER H H 7.11 0.03 1 434 85 85 SER HA H 4.13 0.03 1 435 85 85 SER HB2 H 2.54 0.03 2 436 85 85 SER HB3 H 3.50 0.03 2 437 85 85 SER CA C 61.84 0.30 1 438 85 85 SER CB C 62.40 0.30 1 439 85 85 SER N N 115.50 0.20 1 440 86 86 ALA H H 6.86 0.03 1 441 86 86 ALA HA H 4.08 0.03 1 442 86 86 ALA HB H 1.77 0.03 1 443 86 86 ALA CA C 55.21 0.30 1 444 86 86 ALA CB C 18.07 0.30 1 445 86 86 ALA N N 122.76 0.20 1 446 87 87 ASP H H 7.68 0.03 1 447 87 87 ASP HA H 4.39 0.03 1 448 87 87 ASP HB2 H 2.74 0.03 2 449 87 87 ASP HB3 H 2.81 0.03 2 450 87 87 ASP CA C 57.47 0.30 1 451 87 87 ASP CB C 40.85 0.30 1 452 87 87 ASP N N 115.98 0.20 1 453 88 88 GLN H H 7.67 0.03 1 454 88 88 GLN HA H 4.04 0.03 1 455 88 88 GLN HB2 H 2.14 0.03 2 456 88 88 GLN HB3 H 2.22 0.03 2 457 88 88 GLN HE21 H 7.82 0.03 1 458 88 88 GLN HE22 H 6.88 0.03 1 459 88 88 GLN HG2 H 2.43 0.03 2 460 88 88 GLN HG3 H 2.62 0.03 2 461 88 88 GLN CA C 58.50 0.30 1 462 88 88 GLN CB C 28.27 0.30 1 463 88 88 GLN CG C 33.78 0.30 1 464 88 88 GLN N N 119.92 0.20 1 465 88 88 GLN NE2 N 111.45 0.20 1 466 89 89 ALA H H 7.95 0.03 1 467 89 89 ALA HA H 2.80 0.03 1 468 89 89 ALA HB H 1.54 0.03 1 469 89 89 ALA CA C 54.93 0.30 1 470 89 89 ALA CB C 19.34 0.30 1 471 89 89 ALA N N 121.33 0.20 1 472 90 90 VAL H H 8.03 0.03 1 473 90 90 VAL HA H 3.37 0.03 1 474 90 90 VAL HB H 2.20 0.03 1 475 90 90 VAL HG1 H 1.13 0.03 2 476 90 90 VAL HG2 H 1.13 0.03 2 477 90 90 VAL CA C 67.09 0.30 1 478 90 90 VAL CB C 32.18 0.30 1 479 90 90 VAL CG1 C 21.32 0.30 2 480 90 90 VAL CG2 C 24.38 0.30 2 481 90 90 VAL N N 116.63 0.20 1 482 91 91 ALA H H 7.35 0.03 1 483 91 91 ALA HA H 4.13 0.03 1 484 91 91 ALA HB H 1.57 0.03 1 485 91 91 ALA CA C 54.81 0.30 1 486 91 91 ALA CB C 18.33 0.30 1 487 91 91 ALA N N 119.62 0.20 1 488 92 92 GLU H H 7.96 0.03 1 489 92 92 GLU HA H 4.36 0.03 1 490 92 92 GLU HB2 H 1.75 0.03 2 491 92 92 GLU HB3 H 2.16 0.03 2 492 92 92 GLU HG2 H 2.35 0.03 2 493 92 92 GLU HG3 H 2.44 0.03 2 494 92 92 GLU CA C 57.93 0.30 1 495 92 92 GLU CB C 30.98 0.30 1 496 92 92 GLU CG C 36.61 0.30 1 497 92 92 GLU N N 113.77 0.20 1 498 93 93 LEU H H 8.31 0.03 1 499 93 93 LEU HA H 4.62 0.03 1 500 93 93 LEU HB2 H 1.13 0.03 2 501 93 93 LEU HB3 H 1.81 0.03 2 502 93 93 LEU HD1 H 0.75 0.03 2 503 93 93 LEU HD2 H 0.05 0.03 2 504 93 93 LEU HG H 1.41 0.03 1 505 93 93 LEU CA C 55.81 0.30 1 506 93 93 LEU CB C 44.13 0.30 1 507 93 93 LEU CD1 C 22.63 0.30 2 508 93 93 LEU CD2 C 25.33 0.30 2 509 93 93 LEU CG C 26.77 0.30 1 510 93 93 LEU N N 114.55 0.20 1 511 94 94 ASN H H 7.91 0.03 1 512 94 94 ASN HA H 4.43 0.03 1 513 94 94 ASN HD21 H 7.93 0.03 1 514 94 94 ASN HD22 H 7.21 0.03 1 515 94 94 ASN CA C 56.69 0.30 1 516 94 94 ASN N N 116.84 0.20 1 517 94 94 ASN ND2 N 115.40 0.20 1 518 95 95 GLY H H 8.89 0.03 1 519 95 95 GLY HA2 H 3.96 0.03 2 520 95 95 GLY HA3 H 4.29 0.03 2 521 95 95 GLY CA C 46.09 0.30 1 522 95 95 GLY N N 116.35 0.20 1 523 96 96 THR H H 7.86 0.03 1 524 96 96 THR HA H 4.66 0.03 1 525 96 96 THR HB H 4.27 0.03 1 526 96 96 THR HG2 H 1.25 0.03 1 527 96 96 THR CA C 60.88 0.30 1 528 96 96 THR CB C 71.09 0.30 1 529 96 96 THR CG2 C 21.65 0.30 1 530 96 96 THR N N 113.92 0.20 1 531 97 97 GLN H H 8.36 0.03 1 532 97 97 GLN HA H 5.21 0.03 1 533 97 97 GLN HB2 H 1.88 0.03 2 534 97 97 GLN HB3 H 1.95 0.03 2 535 97 97 GLN HE21 H 7.49 0.03 1 536 97 97 GLN HE22 H 6.82 0.03 1 537 97 97 GLN HG3 H 2.12 0.03 2 538 97 97 GLN CA C 54.17 0.30 1 539 97 97 GLN CB C 30.47 0.30 1 540 97 97 GLN CG C 33.85 0.30 1 541 97 97 GLN N N 119.55 0.20 1 542 97 97 GLN NE2 N 110.85 0.20 1 543 98 98 VAL H H 8.90 0.03 1 544 98 98 VAL HA H 4.20 0.03 1 545 98 98 VAL HB H 1.91 0.03 1 546 98 98 VAL HG1 H 0.98 0.03 2 547 98 98 VAL HG2 H 0.91 0.03 2 548 98 98 VAL CA C 61.35 0.30 1 549 98 98 VAL CB C 33.60 0.30 1 550 98 98 VAL CG1 C 21.70 0.30 2 551 98 98 VAL CG2 C 21.10 0.30 2 552 98 98 VAL N N 127.26 0.20 1 553 99 99 GLU H H 9.16 0.03 1 554 99 99 GLU HA H 3.82 0.03 1 555 99 99 GLU HB3 H 2.22 0.03 2 556 99 99 GLU HG3 H 2.33 0.03 2 557 99 99 GLU CA C 57.95 0.30 1 558 99 99 GLU CB C 27.11 0.30 1 559 99 99 GLU CG C 36.41 0.30 1 560 99 99 GLU N N 124.20 0.20 1 561 100 100 SER H H 8.33 0.03 1 562 100 100 SER HA H 4.28 0.03 1 563 100 100 SER HB2 H 4.03 0.03 2 564 100 100 SER HB3 H 4.23 0.03 2 565 100 100 SER CA C 59.78 0.30 1 566 100 100 SER CB C 63.30 0.30 1 567 100 100 SER N N 111.66 0.20 1 568 101 101 VAL H H 8.41 0.03 1 569 101 101 VAL HA H 4.21 0.03 1 570 101 101 VAL HB H 2.31 0.03 1 571 101 101 VAL HG1 H 0.94 0.03 2 572 101 101 VAL HG2 H 0.82 0.03 2 573 101 101 VAL CA C 62.08 0.30 1 574 101 101 VAL CB C 33.20 0.30 1 575 101 101 VAL CG1 C 21.31 0.30 2 576 101 101 VAL CG2 C 21.51 0.30 2 577 101 101 VAL N N 124.55 0.20 1 578 102 102 GLN H H 8.51 0.03 1 579 102 102 GLN HA H 4.59 0.03 1 580 102 102 GLN HB2 H 2.04 0.03 2 581 102 102 GLN HB3 H 2.13 0.03 2 582 102 102 GLN HE21 H 7.51 0.03 1 583 102 102 GLN HE22 H 6.73 0.03 1 584 102 102 GLN HG2 H 2.25 0.03 2 585 102 102 GLN HG3 H 2.29 0.03 2 586 102 102 GLN CA C 55.09 0.30 1 587 102 102 GLN CB C 28.62 0.30 1 588 102 102 GLN CG C 33.54 0.30 1 589 102 102 GLN N N 127.32 0.20 1 590 102 102 GLN NE2 N 110.98 0.20 1 591 103 103 LEU H H 8.71 0.03 1 592 103 103 LEU HA H 5.05 0.03 1 593 103 103 LEU HB2 H 1.16 0.03 2 594 103 103 LEU HB3 H 2.07 0.03 2 595 103 103 LEU HD1 H 0.75 0.03 2 596 103 103 LEU HD2 H 0.68 0.03 2 597 103 103 LEU HG H 1.83 0.03 1 598 103 103 LEU CA C 54.74 0.30 1 599 103 103 LEU CB C 44.82 0.30 1 600 103 103 LEU CD1 C 26.42 0.30 2 601 103 103 LEU CD2 C 23.97 0.30 2 602 103 103 LEU CG C 26.50 0.30 1 603 103 103 LEU N N 126.61 0.20 1 604 104 104 LYS H H 8.69 0.03 1 605 104 104 LYS HA H 5.03 0.03 1 606 104 104 LYS HB2 H 2.13 0.03 2 607 104 104 LYS HB3 H 2.04 0.03 2 608 104 104 LYS HD3 H 1.80 0.03 2 609 104 104 LYS HE3 H 3.08 0.03 2 610 104 104 LYS HG2 H 1.77 0.03 2 611 104 104 LYS HG3 H 1.52 0.03 2 612 104 104 LYS CA C 55.48 0.30 1 613 104 104 LYS CB C 34.52 0.30 1 614 104 104 LYS CD C 29.44 0.30 1 615 104 104 LYS CE C 41.94 0.30 1 616 104 104 LYS CG C 24.90 0.30 1 617 104 104 LYS N N 124.08 0.20 1 618 105 105 VAL H H 9.05 0.03 1 619 105 105 VAL HA H 5.19 0.03 1 620 105 105 VAL HB H 1.94 0.03 1 621 105 105 VAL HG1 H 1.15 0.03 2 622 105 105 VAL HG2 H 1.10 0.03 2 623 105 105 VAL CA C 60.84 0.30 1 624 105 105 VAL CB C 35.66 0.30 1 625 105 105 VAL CG1 C 24.11 0.30 2 626 105 105 VAL CG2 C 22.61 0.30 2 627 105 105 VAL N N 123.92 0.20 1 628 106 106 ASN H H 9.30 0.03 1 629 106 106 ASN HA H 5.22 0.03 1 630 106 106 ASN HB2 H 2.76 0.03 2 631 106 106 ASN HB3 H 3.05 0.03 2 632 106 106 ASN HD21 H 7.58 0.03 1 633 106 106 ASN HD22 H 7.14 0.03 1 634 106 106 ASN CA C 51.63 0.30 1 635 106 106 ASN CB C 43.84 0.30 1 636 106 106 ASN N N 122.78 0.20 1 637 106 106 ASN ND2 N 112.01 0.20 1 638 107 107 ILE H H 9.05 0.03 1 639 107 107 ILE HA H 4.16 0.03 1 640 107 107 ILE HB H 2.00 0.03 1 641 107 107 ILE HD1 H 0.88 0.03 1 642 107 107 ILE HG12 H 1.56 0.03 2 643 107 107 ILE HG13 H 1.65 0.03 2 644 107 107 ILE HG2 H 0.92 0.03 1 645 107 107 ILE CA C 61.67 0.30 1 646 107 107 ILE CB C 36.14 0.30 1 647 107 107 ILE CD1 C 10.22 0.30 1 648 107 107 ILE CG2 C 17.75 0.30 1 649 107 107 ILE N N 122.98 0.20 1 650 108 108 ALA H H 8.74 0.03 1 651 108 108 ALA HA H 4.78 0.03 1 652 108 108 ALA HB H 1.85 0.03 1 653 108 108 ALA CA C 52.62 0.30 1 654 108 108 ALA CB C 19.57 0.30 1 655 108 108 ALA N N 131.61 0.20 1 656 109 109 ARG HA H 4.39 0.03 1 657 109 109 ARG HB2 H 1.83 0.03 2 658 109 109 ARG HB3 H 1.92 0.03 2 659 109 109 ARG HD3 H 3.24 0.03 2 660 109 109 ARG CA C 56.12 0.30 1 661 109 109 ARG CB C 31.01 0.30 1 662 109 109 ARG CD C 43.27 0.30 1 663 111 111 GLN HA H 4.63 0.03 1 664 111 111 GLN HB2 H 1.94 0.03 2 665 111 111 GLN HB3 H 2.31 0.03 2 666 111 111 GLN HG2 H 2.45 0.03 2 667 111 111 GLN HG3 H 2.55 0.03 2 668 111 111 GLN CA C 55.16 0.30 1 669 111 111 GLN CB C 32.90 0.30 1 670 111 111 GLN CG C 33.05 0.30 1 671 112 112 PRO HA H 4.37 0.03 1 672 112 112 PRO HB3 H 1.84 0.03 2 673 112 112 PRO HD3 H 3.79 0.03 2 674 112 112 PRO HG3 H 2.12 0.03 2 675 112 112 PRO CA C 64.09 0.30 1 676 112 112 PRO CB C 32.65 0.30 1 677 113 113 MET HE H 2.09 0.03 1 678 113 113 MET CE C 17.48 0.30 1 679 114 114 LEU H H 7.71 0.03 1 680 114 114 LEU HA H 4.44 0.03 1 681 114 114 LEU HB2 H 1.77 0.03 2 682 114 114 LEU HB3 H 1.84 0.03 2 683 114 114 LEU HD1 H 1.08 0.03 2 684 114 114 LEU HD2 H 1.00 0.03 2 685 114 114 LEU CB C 42.64 0.30 1 686 114 114 LEU CD1 C 24.87 0.30 2 687 114 114 LEU CD2 C 24.98 0.30 2 688 114 114 LEU N N 123.05 0.20 1 689 115 115 ASP H H 8.44 0.03 1 690 115 115 ASP HA H 4.61 0.03 1 691 115 115 ASP HB2 H 2.67 0.03 2 692 115 115 ASP HB3 H 2.77 0.03 2 693 115 115 ASP CA C 54.62 0.30 1 694 115 115 ASP CB C 40.72 0.30 1 695 115 115 ASP N N 119.52 0.20 1 696 116 116 ALA H H 8.06 0.03 1 697 116 116 ALA HA H 4.32 0.03 1 698 116 116 ALA HB H 1.49 0.03 1 699 116 116 ALA CA C 53.08 0.30 1 700 116 116 ALA CB C 19.00 0.30 1 701 116 116 ALA N N 123.46 0.20 1 702 117 117 ALA H H 8.11 0.03 1 703 117 117 ALA HA H 4.64 0.03 1 704 117 117 ALA HB H 1.55 0.03 1 705 117 117 ALA CA C 52.60 0.30 1 706 117 117 ALA CB C 19.36 0.30 1 707 117 117 ALA N N 121.13 0.20 1 708 118 118 THR H H 8.06 0.03 1 709 118 118 THR HA H 4.43 0.03 1 710 118 118 THR HB H 4.37 0.03 1 711 118 118 THR HG2 H 1.33 0.03 1 712 118 118 THR CA C 62.13 0.30 1 713 118 118 THR CB C 69.84 0.30 1 714 118 118 THR CG2 C 21.62 0.30 1 715 118 118 THR N N 112.10 0.20 1 716 119 119 GLY H H 8.43 0.03 1 717 119 119 GLY N N 111.23 0.20 1 718 120 120 LYS H H 8.20 0.03 1 719 120 120 LYS HA H 4.51 0.03 1 720 120 120 LYS HB2 H 1.84 0.03 2 721 120 120 LYS HB3 H 1.98 0.03 2 722 120 120 LYS HG3 H 1.53 0.03 2 723 120 120 LYS CA C 56.11 0.30 1 724 120 120 LYS CB C 33.27 0.30 1 725 120 120 LYS N N 121.18 0.20 1 726 121 121 SER H H 8.09 0.03 1 727 121 121 SER N N 123.03 0.20 1 stop_ save_