data_6368 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments of Methanosarcina mazei Protein RPS24E: The Northeast Structural Genomics Consortium Target MaR11 ; _BMRB_accession_number 6368 _BMRB_flat_file_name bmr6368.str _Entry_type original _Submission_date 2004-10-27 _Accession_date 2004-10-28 _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 Liu Gaohua . . 2 Xiao Rong B. . 3 Parish David . . 4 Ma LiChung . . 5 Sukumaran Dinesh . . 6 Acton Thomas . . 7 Montelione Gaetano T. . 8 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 647 "13C chemical shifts" 364 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-28 update BMRB 'update entry citation' 2005-10-31 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR data collection and analysis protocol for high-throughput protein structure determination' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16027363 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 Shen Yang . . 3 Atreya Hanudatta S. . 4 Parish David . . 5 Shao Ying . . 6 Sukumaran Dinesh K. . 7 Xiao Rong . . 8 Yee Adelinda . . 9 Lemak Alexander . . 10 Bhattacharya Aneerban . . 11 Acton Thomas A. . 12 Arrowsmith Cheryl H. . 13 Montelione Gaetano T. . 14 Szyperski Thomas . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 102 _Journal_issue 30 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10487 _Page_last 10492 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_molecular_system_rps24e _Saveframe_category molecular_system _Mol_system_name 'Hypothetical protein rps24e' _Abbreviation_common 'Hypothetical protein rps24e' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Hypothetical protein rps24e' $Hypothetical_protein_rps24e stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Hypothetical_protein_rps24e _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Hypothetical protein rps24e' _Abbreviation_common 'Hypothetical protein rps24e' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; MDIKIIKDKKNPLLNRRELD FIVKYEGSTPSRNDVRNKLA AMLNAPLELLVIQRIKTEYG MQESKGYAKLYEDADRMKQV EQEYVLKRNAVPGSETEGEE A ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 ILE 4 LYS 5 ILE 6 ILE 7 LYS 8 ASP 9 LYS 10 LYS 11 ASN 12 PRO 13 LEU 14 LEU 15 ASN 16 ARG 17 ARG 18 GLU 19 LEU 20 ASP 21 PHE 22 ILE 23 VAL 24 LYS 25 TYR 26 GLU 27 GLY 28 SER 29 THR 30 PRO 31 SER 32 ARG 33 ASN 34 ASP 35 VAL 36 ARG 37 ASN 38 LYS 39 LEU 40 ALA 41 ALA 42 MET 43 LEU 44 ASN 45 ALA 46 PRO 47 LEU 48 GLU 49 LEU 50 LEU 51 VAL 52 ILE 53 GLN 54 ARG 55 ILE 56 LYS 57 THR 58 GLU 59 TYR 60 GLY 61 MET 62 GLN 63 GLU 64 SER 65 LYS 66 GLY 67 TYR 68 ALA 69 LYS 70 LEU 71 TYR 72 GLU 73 ASP 74 ALA 75 ASP 76 ARG 77 MET 78 LYS 79 GLN 80 VAL 81 GLU 82 GLN 83 GLU 84 TYR 85 VAL 86 LEU 87 LYS 88 ARG 89 ASN 90 ALA 91 VAL 92 PRO 93 GLY 94 SER 95 GLU 96 THR 97 GLU 98 GLY 99 GLU 100 GLU 101 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-16 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 1XN9 "Solution Structure Of Methanosarcina Mazei Protein Rps24e: The Northeast Structural Genomics Consortium Target Mar11" 100.00 101 100.00 100.00 3.35e-65 GB AAM30295 "SSU ribosomal protein S24E [Methanosarcina mazei Go1]" 100.00 101 100.00 100.00 3.35e-65 GB AGF96024 "SSU ribosomal protein S24e [Methanosarcina mazei Tuc01]" 100.00 101 99.01 99.01 3.58e-64 REF NP_632623 "30S ribosomal protein S24 [Methanosarcina mazei Go1]" 100.00 101 100.00 100.00 3.35e-65 REF WP_011032550 "30S ribosomal protein S24 [Methanosarcina mazei]" 100.00 101 100.00 100.00 3.35e-65 REF WP_015411211 "SSU ribosomal protein S24e [Methanosarcina mazei]" 100.00 101 99.01 99.01 3.58e-64 REF YP_007489296 "SSU ribosomal protein S24e [Methanosarcina mazei Tuc01]" 100.00 101 99.01 99.01 3.58e-64 SP Q8PZ95 "RecName: Full=30S ribosomal protein S24e [Methanosarcina mazei Go1]" 100.00 101 100.00 100.00 3.35e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Hypothetical_protein_rps24e 'Methanosarcina mazei' 2209 Archaea 'Not applicable' 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 $Hypothetical_protein_rps24e '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 $Hypothetical_protein_rps24e 1.0 mM '[U-13C; U-15N]' MES 20 mM . NaCl 100 mM . DTT 10 mM . CaCl2 5 mM . NaN3 0.02 % . H2O 95 % . D2O 5 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_750MHz_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_GFT_(4,3)D_HNNCabCa_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HNNCabCa' _Sample_label . save_ save_GFT_(4,3)D_CabCa(CO)NHN_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D CabCa(CO)NHN' _Sample_label . save_ save_GFT_(4,3)D_HabCab(CO)NHN_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HabCab(CO)NHN' _Sample_label . save_ save_GFT_(4,3)D_HCCH_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HCCH' _Sample_label . save_ save_SIMULTANEOUS_HETERONUCLEAR_RESOLVED_[1H,1H]-NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HNNCabCa' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D CabCa(CO)NHN' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HabCab(CO)NHN' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'GFT (4,3)D HCCH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 1 K pH 6.5 0.1 pH pressure 1 0.001 atm 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 'GFT (4,3)D HNNCabCa' 'GFT (4,3)D CabCa(CO)NHN' 'GFT (4,3)D HabCab(CO)NHN' 'GFT (4,3)D HCCH' 'SIMULTANEOUS HETERONUCLEAR RESOLVED [1H,1H]-NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Hypothetical protein rps24e' _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 MET CA C 54.8 0.5 1 2 . 1 MET HA H 4.54 0.02 1 3 . 1 MET CB C 33.7 0.5 1 4 . 1 MET HB2 H 2.25 0.02 1 5 . 1 MET HB3 H 2.25 0.02 1 6 . 1 MET CG C 30.5 0.5 1 7 . 1 MET HG2 H 2.28 0.02 2 8 . 1 MET HG3 H 2.46 0.02 2 9 . 1 MET HE H 1.92 0.02 1 10 . 1 MET CE C 17.9 0.5 1 11 . 2 ASP N N 123.0 0.5 1 12 . 2 ASP H H 9.09 0.02 1 13 . 2 ASP CA C 53.2 0.5 1 14 . 2 ASP HA H 5.08 0.02 1 15 . 2 ASP CB C 44.4 0.5 1 16 . 2 ASP HB2 H 2.65 0.02 1 17 . 2 ASP HB3 H 2.53 0.02 1 18 . 3 ILE N N 122.9 0.5 1 19 . 3 ILE H H 8.66 0.02 1 20 . 3 ILE CA C 60.0 0.5 1 21 . 3 ILE HA H 5.13 0.02 1 22 . 3 ILE CB C 40.2 0.5 1 23 . 3 ILE HB H 1.65 0.02 1 24 . 3 ILE HG2 H 0.66 0.02 1 25 . 3 ILE CG2 C 17.6 0.5 1 26 . 3 ILE CG1 C 28.4 0.5 1 27 . 3 ILE HG12 H 1.01 0.02 1 28 . 3 ILE HG13 H 1.53 0.02 1 29 . 3 ILE HD1 H 0.68 0.02 1 30 . 3 ILE CD1 C 14.5 0.5 1 31 . 4 LYS N N 126.5 0.5 1 32 . 4 LYS H H 8.85 0.02 1 33 . 4 LYS CA C 53.8 0.5 1 34 . 4 LYS HA H 4.67 0.02 1 35 . 4 LYS CB C 34.8 0.5 1 36 . 4 LYS HB2 H 1.71 0.02 1 37 . 4 LYS HB3 H 1.71 0.02 1 38 . 4 LYS CG C 24.4 0.5 1 39 . 4 LYS HG2 H 1.25 0.02 2 40 . 4 LYS HG3 H 1.38 0.02 2 41 . 4 LYS CD C 28.9 0.5 1 42 . 4 LYS HD2 H 1.64 0.02 1 43 . 4 LYS HD3 H 1.64 0.02 1 44 . 4 LYS CE C 41.8 0.5 1 45 . 4 LYS HE2 H 2.94 0.02 1 46 . 4 LYS HE3 H 2.94 0.02 1 47 . 5 ILE N N 126.7 0.5 1 48 . 5 ILE H H 9.14 0.02 1 49 . 5 ILE CA C 61.6 0.5 1 50 . 5 ILE HA H 4.14 0.02 1 51 . 5 ILE CB C 36.9 0.5 1 52 . 5 ILE HB H 1.92 0.02 1 53 . 5 ILE HG2 H 0.92 0.02 1 54 . 5 ILE CG2 C 18.3 0.5 1 55 . 5 ILE CG1 C 27.9 0.5 1 56 . 5 ILE HG12 H 0.90 0.02 1 57 . 5 ILE HG13 H 1.52 0.02 1 58 . 5 ILE HD1 H 0.74 0.02 1 59 . 5 ILE CD1 C 12.4 0.5 1 60 . 6 ILE N N 125.7 0.5 1 61 . 6 ILE H H 8.82 0.02 1 62 . 6 ILE CA C 61.0 0.5 1 63 . 6 ILE HA H 4.35 0.02 1 64 . 6 ILE CB C 38.3 0.5 1 65 . 6 ILE HB H 1.90 0.02 1 66 . 6 ILE HG2 H 0.91 0.02 1 67 . 6 ILE CG2 C 17.6 0.5 1 68 . 6 ILE CG1 C 27.0 0.5 1 69 . 6 ILE HG12 H 1.04 0.02 1 70 . 6 ILE HG13 H 1.36 0.02 1 71 . 6 ILE HD1 H 0.78 0.02 1 72 . 6 ILE CD1 C 12.2 0.5 1 73 . 7 LYS N N 121.2 0.5 1 74 . 7 LYS H H 7.82 0.02 1 75 . 7 LYS CA C 56.7 0.5 1 76 . 7 LYS HA H 4.46 0.02 1 77 . 7 LYS CB C 36.1 0.5 1 78 . 7 LYS HB2 H 1.87 0.02 1 79 . 7 LYS HB3 H 1.94 0.02 1 80 . 7 LYS CG C 25.0 0.5 1 81 . 7 LYS HG2 H 1.46 0.02 1 82 . 7 LYS HG3 H 1.46 0.02 1 83 . 7 LYS CD C 29.1 0.5 1 84 . 7 LYS HD2 H 1.74 0.02 1 85 . 7 LYS HD3 H 1.74 0.02 1 86 . 7 LYS CE C 41.7 0.5 1 87 . 7 LYS HE2 H 2.96 0.02 1 88 . 7 LYS HE3 H 2.96 0.02 1 89 . 8 ASP N N 126.2 0.5 1 90 . 8 ASP H H 8.47 0.02 1 91 . 8 ASP CA C 52.7 0.5 1 92 . 8 ASP HA H 4.93 0.02 1 93 . 8 ASP CB C 41.6 0.5 1 94 . 8 ASP HB2 H 2.29 0.02 1 95 . 8 ASP HB3 H 2.77 0.02 1 96 . 9 LYS N N 124.6 0.5 1 97 . 9 LYS H H 8.68 0.02 1 98 . 9 LYS CA C 53.7 0.5 1 99 . 9 LYS HA H 4.76 0.02 1 100 . 9 LYS CB C 35.8 0.5 1 101 . 9 LYS HB2 H 1.72 0.02 1 102 . 9 LYS HB3 H 1.92 0.02 1 103 . 9 LYS CG C 24.4 0.5 1 104 . 9 LYS HG2 H 1.39 0.02 2 105 . 9 LYS HG3 H 1.43 0.02 2 106 . 9 LYS CD C 29.2 0.5 1 107 . 9 LYS HD2 H 1.74 0.02 1 108 . 9 LYS HD3 H 1.74 0.02 1 109 . 9 LYS CE C 41.7 0.5 1 110 . 9 LYS HE2 H 2.96 0.02 1 111 . 9 LYS HE3 H 2.96 0.02 1 112 . 10 LYS N N 126.1 0.5 1 113 . 10 LYS H H 8.91 0.02 1 114 . 10 LYS CA C 56.7 0.5 1 115 . 10 LYS HA H 4.31 0.02 1 116 . 10 LYS CB C 32.8 0.5 1 117 . 10 LYS HB2 H 1.75 0.02 2 118 . 10 LYS HB3 H 1.80 0.02 2 119 . 10 LYS CG C 25.5 0.5 1 120 . 10 LYS HG2 H 1.25 0.02 2 121 . 10 LYS HG3 H 1.38 0.02 2 122 . 10 LYS CD C 29.0 0.5 1 123 . 10 LYS HD2 H 1.61 0.02 1 124 . 10 LYS HD3 H 1.61 0.02 1 125 . 10 LYS CE C 41.7 0.5 1 126 . 10 LYS HE2 H 2.88 0.02 1 127 . 10 LYS HE3 H 2.88 0.02 1 128 . 11 ASN N N 123.7 0.5 1 129 . 11 ASN H H 9.08 0.02 1 130 . 11 ASN CA C 49.3 0.5 1 131 . 11 ASN HA H 5.21 0.02 1 132 . 11 ASN CB C 38.6 0.5 1 133 . 11 ASN HB2 H 2.42 0.02 1 134 . 11 ASN HB3 H 3.10 0.02 1 135 . 11 ASN ND2 N 114.4 0.5 1 136 . 11 ASN HD21 H 8.58 0.02 1 137 . 11 ASN HD22 H 7.10 0.02 1 138 . 12 PRO CD C 50.7 0.5 1 139 . 12 PRO CA C 63.7 0.5 1 140 . 12 PRO HA H 4.42 0.02 1 141 . 12 PRO CB C 32.1 0.5 1 142 . 12 PRO HB2 H 2.06 0.02 1 143 . 12 PRO HB3 H 2.36 0.02 1 144 . 12 PRO CG C 26.9 0.5 1 145 . 12 PRO HG2 H 2.03 0.02 2 146 . 12 PRO HG3 H 2.06 0.02 2 147 . 12 PRO HD2 H 3.80 0.02 1 148 . 12 PRO HD3 H 3.99 0.02 1 149 . 13 LEU N N 117.8 0.5 1 150 . 13 LEU H H 7.59 0.02 1 151 . 13 LEU CA C 56.9 0.5 1 152 . 13 LEU HA H 4.24 0.02 1 153 . 13 LEU CB C 41.6 0.5 1 154 . 13 LEU HB2 H 1.62 0.02 1 155 . 13 LEU HB3 H 1.78 0.02 1 156 . 13 LEU CG C 26.9 0.5 1 157 . 13 LEU HG H 1.62 0.02 1 158 . 13 LEU HD1 H 0.89 0.02 2 159 . 13 LEU HD2 H 0.95 0.02 2 160 . 13 LEU CD1 C 23.4 0.5 2 161 . 13 LEU CD2 C 24.2 0.5 2 162 . 14 LEU N N 114.9 0.5 1 163 . 14 LEU H H 6.70 0.02 1 164 . 14 LEU CA C 53.0 0.5 1 165 . 14 LEU HA H 4.44 0.02 1 166 . 14 LEU CB C 41.2 0.5 1 167 . 14 LEU HB2 H 1.09 0.02 1 168 . 14 LEU HB3 H 1.78 0.02 1 169 . 14 LEU CG C 26.6 0.5 1 170 . 14 LEU HG H 1.47 0.02 1 171 . 14 LEU HD1 H 0.81 0.02 1 172 . 14 LEU HD2 H 0.85 0.02 1 173 . 14 LEU CD1 C 21.9 0.5 1 174 . 14 LEU CD2 C 25.0 0.5 1 175 . 15 ASN N N 110.8 0.5 1 176 . 15 ASN H H 7.46 0.02 1 177 . 15 ASN CA C 54.7 0.5 1 178 . 15 ASN HA H 4.23 0.02 1 179 . 15 ASN CB C 37.7 0.5 1 180 . 15 ASN HB2 H 2.89 0.02 2 181 . 15 ASN HB3 H 2.92 0.02 2 182 . 15 ASN ND2 N 110.7 0.5 1 183 . 15 ASN HD21 H 7.79 0.02 1 184 . 15 ASN HD22 H 6.75 0.02 1 185 . 16 ARG N N 108.9 0.5 1 186 . 16 ARG H H 7.56 0.02 1 187 . 16 ARG CA C 52.9 0.5 1 188 . 16 ARG HA H 5.06 0.02 1 189 . 16 ARG CB C 31.8 0.5 1 190 . 16 ARG HB2 H 0.66 0.02 1 191 . 16 ARG HB3 H 1.05 0.02 1 192 . 16 ARG CG C 25.1 0.5 1 193 . 16 ARG HG2 H 1.00 0.02 2 194 . 16 ARG HG3 H 1.29 0.02 2 195 . 16 ARG CD C 44.5 0.5 1 196 . 16 ARG HD2 H 2.20 0.02 2 197 . 16 ARG HD3 H 2.83 0.02 2 198 . 16 ARG NE N 85.3 0.5 1 199 . 16 ARG HE H 8.72 0.02 1 200 . 17 ARG N N 120.5 0.5 1 201 . 17 ARG H H 8.69 0.02 1 202 . 17 ARG CA C 54.4 0.5 1 203 . 17 ARG HA H 4.90 0.02 1 204 . 17 ARG CB C 33.6 0.5 1 205 . 17 ARG HB2 H 1.30 0.02 1 206 . 17 ARG HB3 H 1.98 0.02 1 207 . 17 ARG CG C 25.5 0.5 1 208 . 17 ARG HG2 H 1.58 0.02 2 209 . 17 ARG HG3 H 1.65 0.02 2 210 . 17 ARG CD C 45.1 0.5 1 211 . 17 ARG HD2 H 2.97 0.02 2 212 . 17 ARG HD3 H 3.17 0.02 2 213 . 17 ARG NE N 81.9 0.5 1 214 . 17 ARG HE H 8.68 0.02 1 215 . 18 GLU N N 123.5 0.5 1 216 . 18 GLU H H 9.26 0.02 1 217 . 18 GLU CA C 55.1 0.5 1 218 . 18 GLU HA H 4.60 0.02 1 219 . 18 GLU CB C 29.9 0.5 1 220 . 18 GLU HB2 H 2.07 0.02 1 221 . 18 GLU HB3 H 2.18 0.02 1 222 . 18 GLU CG C 36.8 0.5 1 223 . 18 GLU HG2 H 2.12 0.02 2 224 . 18 GLU HG3 H 2.22 0.02 2 225 . 19 LEU N N 125.9 0.5 1 226 . 19 LEU H H 9.22 0.02 1 227 . 19 LEU CA C 53.7 0.5 1 228 . 19 LEU HA H 5.55 0.02 1 229 . 19 LEU CB C 44.7 0.5 1 230 . 19 LEU HB2 H 1.31 0.02 1 231 . 19 LEU HB3 H 1.68 0.02 1 232 . 19 LEU CG C 27.4 0.5 1 233 . 19 LEU HG H 1.48 0.02 1 234 . 19 LEU HD1 H 0.58 0.02 1 235 . 19 LEU HD2 H 0.79 0.02 1 236 . 19 LEU CD1 C 26.8 0.5 1 237 . 19 LEU CD2 C 26.0 0.5 1 238 . 20 ASP N N 122.5 0.5 1 239 . 20 ASP H H 8.92 0.02 1 240 . 20 ASP CA C 53.0 0.5 1 241 . 20 ASP HA H 5.60 0.02 1 242 . 20 ASP CB C 42.6 0.5 1 243 . 20 ASP HB2 H 2.61 0.02 1 244 . 20 ASP HB3 H 2.61 0.02 1 245 . 21 PHE N N 118.6 0.5 1 246 . 21 PHE H H 8.47 0.02 1 247 . 21 PHE CA C 55.1 0.5 1 248 . 21 PHE HA H 5.69 0.02 1 249 . 21 PHE CB C 42.5 0.5 1 250 . 21 PHE HB2 H 2.68 0.02 1 251 . 21 PHE HB3 H 3.00 0.02 1 252 . 21 PHE HD1 H 6.78 0.02 1 253 . 21 PHE HD2 H 6.78 0.02 1 254 . 21 PHE HE1 H 6.91 0.02 1 255 . 21 PHE HE2 H 6.91 0.02 1 256 . 21 PHE CD1 C 131.6 0.5 1 257 . 21 PHE CE1 C 129.5 0.5 1 258 . 21 PHE CZ C 127.8 0.5 1 259 . 21 PHE HZ H 6.86 0.02 1 260 . 21 PHE CE2 C 129.5 0.5 1 261 . 21 PHE CD2 C 131.6 0.5 1 262 . 22 ILE N N 120.2 0.5 1 263 . 22 ILE H H 9.30 0.02 1 264 . 22 ILE CA C 59.1 0.5 1 265 . 22 ILE HA H 5.07 0.02 1 266 . 22 ILE CB C 41.4 0.5 1 267 . 22 ILE HB H 1.77 0.02 1 268 . 22 ILE HG2 H 0.90 0.02 1 269 . 22 ILE CG2 C 17.6 0.5 1 270 . 22 ILE CG1 C 27.4 0.5 1 271 . 22 ILE HG12 H 1.12 0.02 1 272 . 22 ILE HG13 H 1.55 0.02 1 273 . 22 ILE HD1 H 0.85 0.02 1 274 . 22 ILE CD1 C 13.0 0.5 1 275 . 23 VAL N N 125.5 0.5 1 276 . 23 VAL H H 9.29 0.02 1 277 . 23 VAL CA C 59.7 0.5 1 278 . 23 VAL HA H 5.04 0.02 1 279 . 23 VAL CB C 34.2 0.5 1 280 . 23 VAL HB H 2.16 0.02 1 281 . 23 VAL HG1 H 1.06 0.02 1 282 . 23 VAL HG2 H 1.07 0.02 1 283 . 23 VAL CG1 C 21.8 0.5 1 284 . 23 VAL CG2 C 21.9 0.5 1 285 . 24 LYS N N 127.1 0.5 1 286 . 24 LYS H H 9.20 0.02 1 287 . 24 LYS CA C 55.1 0.5 1 288 . 24 LYS HA H 4.93 0.02 1 289 . 24 LYS CB C 34.5 0.5 1 290 . 24 LYS HB2 H 1.75 0.02 1 291 . 24 LYS HB3 H 1.97 0.02 1 292 . 24 LYS CG C 24.8 0.5 1 293 . 24 LYS HG2 H 1.45 0.02 2 294 . 24 LYS HG3 H 1.48 0.02 2 295 . 24 LYS CD C 28.7 0.5 1 296 . 24 LYS HD2 H 1.67 0.02 2 297 . 24 LYS HD3 H 1.72 0.02 2 298 . 24 LYS CE C 41.7 0.5 1 299 . 24 LYS HE2 H 2.94 0.02 1 300 . 24 LYS HE3 H 2.94 0.02 1 301 . 25 TYR N N 119.3 0.5 1 302 . 25 TYR H H 7.41 0.02 1 303 . 25 TYR CA C 55.5 0.5 1 304 . 25 TYR HA H 4.93 0.02 1 305 . 25 TYR CB C 39.1 0.5 1 306 . 25 TYR HB2 H 2.80 0.02 1 307 . 25 TYR HB3 H 3.14 0.02 1 308 . 25 TYR HD1 H 6.57 0.02 1 309 . 25 TYR HD2 H 6.57 0.02 1 310 . 25 TYR HE1 H 6.66 0.02 1 311 . 25 TYR HE2 H 6.66 0.02 1 312 . 25 TYR CD1 C 133.3 0.5 1 313 . 25 TYR CE1 C 117.5 0.5 1 314 . 25 TYR CE2 C 117.5 0.5 1 315 . 25 TYR CD2 C 133.3 0.5 1 316 . 26 GLU N N 118.1 0.5 1 317 . 26 GLU H H 8.52 0.02 1 318 . 26 GLU CA C 55.2 0.5 1 319 . 26 GLU HA H 4.50 0.02 1 320 . 26 GLU CB C 31.0 0.5 1 321 . 26 GLU HB2 H 1.94 0.02 1 322 . 26 GLU HB3 H 2.05 0.02 1 323 . 26 GLU CG C 35.8 0.5 1 324 . 26 GLU HG2 H 2.24 0.02 1 325 . 26 GLU HG3 H 2.24 0.02 1 326 . 27 GLY N N 111.5 0.5 1 327 . 27 GLY H H 8.62 0.02 1 328 . 27 GLY CA C 45.3 0.5 1 329 . 27 GLY HA2 H 4.17 0.02 1 330 . 27 GLY HA3 H 3.86 0.02 1 331 . 28 SER N N 118.7 0.5 1 332 . 28 SER H H 8.29 0.02 1 333 . 28 SER CA C 58.2 0.5 1 334 . 28 SER HA H 4.45 0.02 1 335 . 28 SER CB C 63.8 0.5 1 336 . 28 SER HB2 H 3.86 0.02 1 337 . 28 SER HB3 H 3.77 0.02 1 338 . 29 THR N N 118.9 0.5 1 339 . 29 THR H H 8.23 0.02 1 340 . 29 THR CA C 60.6 0.5 1 341 . 29 THR HA H 3.35 0.02 1 342 . 29 THR CB C 69.6 0.5 1 343 . 29 THR HB H 3.75 0.02 1 344 . 29 THR HG2 H 1.08 0.02 1 345 . 29 THR CG2 C 21.1 0.5 1 346 . 30 PRO CD C 49.6 0.5 1 347 . 30 PRO CA C 61.7 0.5 1 348 . 30 PRO HA H 4.35 0.02 1 349 . 30 PRO CB C 32.4 0.5 1 350 . 30 PRO HB2 H 1.65 0.02 1 351 . 30 PRO HB3 H 2.18 0.02 1 352 . 30 PRO CG C 27.1 0.5 1 353 . 30 PRO HG2 H 1.53 0.02 2 354 . 30 PRO HG3 H 1.61 0.02 2 355 . 30 PRO HD2 H 2.57 0.02 2 356 . 30 PRO HD3 H 2.67 0.02 2 357 . 31 SER N N 117.4 0.5 1 358 . 31 SER H H 8.88 0.02 1 359 . 31 SER CA C 56.6 0.5 1 360 . 31 SER HA H 4.38 0.02 1 361 . 31 SER CB C 64.9 0.5 1 362 . 31 SER HB2 H 3.99 0.02 1 363 . 31 SER HB3 H 4.28 0.02 1 364 . 32 ARG N N 122.0 0.5 1 365 . 32 ARG H H 8.89 0.02 1 366 . 32 ARG CA C 59.9 0.5 1 367 . 32 ARG HA H 3.75 0.02 1 368 . 32 ARG CB C 29.7 0.5 1 369 . 32 ARG HB2 H 1.83 0.02 2 370 . 32 ARG HB3 H 1.94 0.02 2 371 . 32 ARG CG C 27.9 0.5 1 372 . 32 ARG HG2 H 1.62 0.02 1 373 . 32 ARG HG3 H 1.62 0.02 1 374 . 32 ARG CD C 43.3 0.5 1 375 . 32 ARG HD2 H 3.25 0.02 1 376 . 32 ARG HD3 H 3.25 0.02 1 377 . 32 ARG NE N 84.0 0.5 1 378 . 32 ARG HE H 7.38 0.02 1 379 . 33 ASN N N 116.2 0.5 1 380 . 33 ASN H H 8.48 0.02 1 381 . 33 ASN CA C 55.9 0.5 1 382 . 33 ASN HA H 4.38 0.02 1 383 . 33 ASN CB C 37.9 0.5 1 384 . 33 ASN HB2 H 2.70 0.02 1 385 . 33 ASN HB3 H 2.70 0.02 1 386 . 33 ASN ND2 N 113.3 0.5 1 387 . 33 ASN HD21 H 7.68 0.02 1 388 . 33 ASN HD22 H 7.03 0.02 1 389 . 34 ASP N N 121.4 0.5 1 390 . 34 ASP H H 7.90 0.02 1 391 . 34 ASP CA C 57.3 0.5 1 392 . 34 ASP HA H 4.39 0.02 1 393 . 34 ASP CB C 39.9 0.5 1 394 . 34 ASP HB2 H 2.49 0.02 1 395 . 34 ASP HB3 H 2.88 0.02 1 396 . 35 VAL N N 120.7 0.5 1 397 . 35 VAL H H 7.98 0.02 1 398 . 35 VAL CA C 66.3 0.5 1 399 . 35 VAL HA H 3.38 0.02 1 400 . 35 VAL CB C 31.4 0.5 1 401 . 35 VAL HB H 2.08 0.02 1 402 . 35 VAL HG1 H 0.77 0.02 1 403 . 35 VAL HG2 H 0.96 0.02 1 404 . 35 VAL CG1 C 21.9 0.5 1 405 . 35 VAL CG2 C 23.0 0.5 1 406 . 36 ARG N N 119.8 0.5 1 407 . 36 ARG H H 8.47 0.02 1 408 . 36 ARG CA C 60.1 0.5 1 409 . 36 ARG HA H 3.53 0.02 1 410 . 36 ARG CB C 30.5 0.5 1 411 . 36 ARG HB2 H 1.85 0.02 1 412 . 36 ARG HB3 H 2.05 0.02 1 413 . 36 ARG CG C 27.5 0.5 1 414 . 36 ARG HG2 H 1.51 0.02 2 415 . 36 ARG HG3 H 1.56 0.02 2 416 . 36 ARG CD C 43.5 0.5 1 417 . 36 ARG HD2 H 3.24 0.02 2 418 . 36 ARG HD3 H 3.35 0.02 2 419 . 36 ARG NE N 82.8 0.5 1 420 . 36 ARG HE H 6.88 0.02 1 421 . 37 ASN N N 115.3 0.5 1 422 . 37 ASN H H 8.09 0.02 1 423 . 37 ASN CA C 55.9 0.5 1 424 . 37 ASN HA H 4.26 0.02 1 425 . 37 ASN CB C 38.2 0.5 1 426 . 37 ASN HB2 H 2.72 0.02 1 427 . 37 ASN HB3 H 2.84 0.02 1 428 . 37 ASN ND2 N 111.2 0.5 1 429 . 37 ASN HD21 H 7.55 0.02 1 430 . 37 ASN HD22 H 6.72 0.02 1 431 . 38 LYS N N 120.6 0.5 1 432 . 38 LYS H H 7.62 0.02 1 433 . 38 LYS CA C 58.0 0.5 1 434 . 38 LYS HA H 4.15 0.02 1 435 . 38 LYS CB C 31.8 0.5 1 436 . 38 LYS HB2 H 1.83 0.02 1 437 . 38 LYS HB3 H 1.91 0.02 1 438 . 38 LYS CG C 25.1 0.5 1 439 . 38 LYS HG2 H 1.37 0.02 1 440 . 38 LYS HG3 H 1.37 0.02 1 441 . 38 LYS CD C 28.2 0.5 1 442 . 38 LYS HD2 H 1.63 0.02 2 443 . 38 LYS HD3 H 1.83 0.02 2 444 . 38 LYS CE C 42.2 0.5 1 445 . 38 LYS HE2 H 3.04 0.02 1 446 . 38 LYS HE3 H 3.04 0.02 1 447 . 39 LEU N N 120.5 0.5 1 448 . 39 LEU H H 8.62 0.02 1 449 . 39 LEU CA C 57.2 0.5 1 450 . 39 LEU HA H 3.89 0.02 1 451 . 39 LEU CB C 41.4 0.5 1 452 . 39 LEU HB2 H 1.08 0.02 2 453 . 39 LEU HB3 H 1.39 0.02 2 454 . 39 LEU CG C 26.1 0.5 1 455 . 39 LEU HG H 1.19 0.02 1 456 . 39 LEU HD1 H 0.00 0.02 2 457 . 39 LEU HD2 H 0.27 0.02 2 458 . 39 LEU CD1 C 25.1 0.5 2 459 . 39 LEU CD2 C 23.3 0.5 2 460 . 40 ALA N N 119.4 0.5 1 461 . 40 ALA H H 8.28 0.02 1 462 . 40 ALA CA C 56.0 0.5 1 463 . 40 ALA HA H 3.70 0.02 1 464 . 40 ALA HB H 1.46 0.02 1 465 . 40 ALA CB C 17.3 0.5 1 466 . 41 ALA N N 118.1 0.5 1 467 . 41 ALA H H 7.39 0.02 1 468 . 41 ALA CA C 54.5 0.5 1 469 . 41 ALA HA H 4.21 0.02 1 470 . 41 ALA HB H 1.53 0.02 1 471 . 41 ALA CB C 17.9 0.5 1 472 . 42 MET N N 118.5 0.5 1 473 . 42 MET H H 8.16 0.02 1 474 . 42 MET CA C 58.5 0.5 1 475 . 42 MET HA H 4.04 0.02 1 476 . 42 MET CB C 33.2 0.5 1 477 . 42 MET HB2 H 2.17 0.02 1 478 . 42 MET HB3 H 2.17 0.02 1 479 . 42 MET CG C 31.4 0.5 1 480 . 42 MET HG2 H 2.64 0.02 1 481 . 42 MET HG3 H 2.64 0.02 1 482 . 42 MET HE H 2.08 0.02 1 483 . 42 MET CE C 16.2 0.5 1 484 . 43 LEU N N 116.4 0.5 1 485 . 43 LEU H H 7.72 0.02 1 486 . 43 LEU CA C 54.0 0.5 1 487 . 43 LEU HA H 4.19 0.02 1 488 . 43 LEU CB C 42.5 0.5 1 489 . 43 LEU HB2 H 1.42 0.02 1 490 . 43 LEU HB3 H 1.58 0.02 1 491 . 43 LEU CG C 26.3 0.5 1 492 . 43 LEU HG H 1.69 0.02 1 493 . 43 LEU HD1 H 0.58 0.02 1 494 . 43 LEU HD2 H 0.68 0.02 1 495 . 43 LEU CD1 C 26.8 0.5 1 496 . 43 LEU CD2 C 21.7 0.5 1 497 . 44 ASN N N 118.1 0.5 1 498 . 44 ASN H H 7.93 0.02 1 499 . 44 ASN CA C 53.9 0.5 1 500 . 44 ASN HA H 4.28 0.02 1 501 . 44 ASN CB C 37.1 0.5 1 502 . 44 ASN HB2 H 2.67 0.02 2 503 . 44 ASN HB3 H 3.12 0.02 2 504 . 44 ASN ND2 N 111.7 0.5 1 505 . 44 ASN HD21 H 7.47 0.02 2 506 . 44 ASN HD22 H 6.76 0.02 2 507 . 45 ALA N N 120.4 0.5 1 508 . 45 ALA H H 8.16 0.02 1 509 . 45 ALA CA C 48.8 0.5 1 510 . 45 ALA HA H 4.94 0.02 1 511 . 45 ALA HB H 1.14 0.02 1 512 . 45 ALA CB C 22.3 0.5 1 513 . 46 PRO CD C 50.7 0.5 1 514 . 46 PRO CA C 61.9 0.5 1 515 . 46 PRO HA H 4.38 0.02 1 516 . 46 PRO CB C 31.7 0.5 1 517 . 46 PRO HB2 H 1.78 0.02 1 518 . 46 PRO HB3 H 2.34 0.02 1 519 . 46 PRO CG C 27.9 0.5 1 520 . 46 PRO HG2 H 1.97 0.02 2 521 . 46 PRO HG3 H 2.09 0.02 2 522 . 46 PRO HD2 H 3.53 0.02 1 523 . 46 PRO HD3 H 3.88 0.02 1 524 . 47 LEU N N 125.2 0.5 1 525 . 47 LEU H H 8.17 0.02 1 526 . 47 LEU CA C 58.1 0.5 1 527 . 47 LEU HA H 3.63 0.02 1 528 . 47 LEU CB C 42.6 0.5 1 529 . 47 LEU HB2 H 1.53 0.02 2 530 . 47 LEU HB3 H 1.57 0.02 2 531 . 47 LEU CG C 26.8 0.5 1 532 . 47 LEU HG H 1.58 0.02 1 533 . 47 LEU HD1 H 0.86 0.02 1 534 . 47 LEU HD2 H 0.86 0.02 1 535 . 47 LEU CD1 C 24.9 0.5 1 536 . 47 LEU CD2 C 24.8 0.5 1 537 . 48 GLU N N 112.5 0.5 1 538 . 48 GLU H H 8.85 0.02 1 539 . 48 GLU CA C 58.3 0.5 1 540 . 48 GLU HA H 3.95 0.02 1 541 . 48 GLU CB C 28.6 0.5 1 542 . 48 GLU HB2 H 1.96 0.02 1 543 . 48 GLU HB3 H 1.96 0.02 1 544 . 48 GLU CG C 35.8 0.5 1 545 . 48 GLU HG2 H 2.23 0.02 1 546 . 48 GLU HG3 H 2.23 0.02 1 547 . 49 LEU N N 115.5 0.5 1 548 . 49 LEU H H 7.11 0.02 1 549 . 49 LEU CA C 53.9 0.5 1 550 . 49 LEU HA H 4.74 0.02 1 551 . 49 LEU CB C 40.7 0.5 1 552 . 49 LEU HB2 H 1.54 0.02 1 553 . 49 LEU HB3 H 2.02 0.02 1 554 . 49 LEU CG C 27.1 0.5 1 555 . 49 LEU HG H 1.45 0.02 1 556 . 49 LEU HD1 H 0.60 0.02 1 557 . 49 LEU HD2 H 0.78 0.02 1 558 . 49 LEU CD1 C 21.8 0.5 1 559 . 49 LEU CD2 C 25.2 0.5 1 560 . 50 LEU N N 121.2 0.5 1 561 . 50 LEU H H 7.50 0.02 1 562 . 50 LEU CA C 53.4 0.5 1 563 . 50 LEU HA H 5.10 0.02 1 564 . 50 LEU CB C 44.3 0.5 1 565 . 50 LEU HB2 H 1.11 0.02 2 566 . 50 LEU HB3 H 1.95 0.02 2 567 . 50 LEU CG C 27.5 0.5 1 568 . 50 LEU HG H 1.25 0.02 1 569 . 50 LEU HD1 H 0.61 0.02 2 570 . 50 LEU HD2 H 0.72 0.02 2 571 . 50 LEU CD1 C 23.9 0.5 2 572 . 50 LEU CD2 C 27.2 0.5 2 573 . 51 VAL N N 126.5 0.5 1 574 . 51 VAL H H 9.40 0.02 1 575 . 51 VAL CA C 60.4 0.5 1 576 . 51 VAL HA H 4.34 0.02 1 577 . 51 VAL CB C 34.8 0.5 1 578 . 51 VAL HB H 2.06 0.02 1 579 . 51 VAL HG1 H 0.89 0.02 1 580 . 51 VAL HG2 H 0.99 0.02 1 581 . 51 VAL CG1 C 20.9 0.5 1 582 . 51 VAL CG2 C 21.0 0.5 1 583 . 52 ILE N N 126.6 0.5 1 584 . 52 ILE H H 9.12 0.02 1 585 . 52 ILE CA C 59.8 0.5 1 586 . 52 ILE HA H 4.28 0.02 1 587 . 52 ILE CB C 36.0 0.5 1 588 . 52 ILE HB H 2.06 0.02 1 589 . 52 ILE HG2 H 0.89 0.02 1 590 . 52 ILE CG2 C 17.5 0.5 1 591 . 52 ILE CG1 C 27.4 0.5 1 592 . 52 ILE HG12 H 1.25 0.02 1 593 . 52 ILE HG13 H 1.45 0.02 1 594 . 52 ILE HD1 H 0.70 0.02 1 595 . 52 ILE CD1 C 11.8 0.5 1 596 . 53 GLN N N 129.3 0.5 1 597 . 53 GLN H H 8.81 0.02 1 598 . 53 GLN CA C 57.0 0.5 1 599 . 53 GLN HA H 4.34 0.02 1 600 . 53 GLN CB C 30.5 0.5 1 601 . 53 GLN HB2 H 1.93 0.02 1 602 . 53 GLN HB3 H 2.04 0.02 1 603 . 53 GLN CG C 33.3 0.5 1 604 . 53 GLN HG2 H 2.43 0.02 2 605 . 53 GLN HG3 H 2.72 0.02 2 606 . 53 GLN NE2 N 111.9 0.5 1 607 . 53 GLN HE21 H 7.52 0.02 1 608 . 53 GLN HE22 H 6.86 0.02 1 609 . 54 ARG N N 114.6 0.5 1 610 . 54 ARG H H 7.75 0.02 1 611 . 54 ARG CA C 55.1 0.5 1 612 . 54 ARG HA H 4.72 0.02 1 613 . 54 ARG CB C 33.2 0.5 1 614 . 54 ARG HB2 H 1.81 0.02 1 615 . 54 ARG HB3 H 1.90 0.02 1 616 . 54 ARG CG C 27.4 0.5 1 617 . 54 ARG HG2 H 1.51 0.02 2 618 . 54 ARG HG3 H 1.61 0.02 2 619 . 54 ARG CD C 43.2 0.5 1 620 . 54 ARG HD2 H 3.18 0.02 1 621 . 54 ARG HD3 H 3.18 0.02 1 622 . 54 ARG NE N 84.3 0.5 1 623 . 54 ARG HE H 7.29 0.02 1 624 . 55 ILE N N 121.6 0.5 1 625 . 55 ILE H H 8.41 0.02 1 626 . 55 ILE CA C 60.9 0.5 1 627 . 55 ILE HA H 4.53 0.02 1 628 . 55 ILE CB C 40.0 0.5 1 629 . 55 ILE HB H 1.78 0.02 1 630 . 55 ILE HG2 H 0.78 0.02 1 631 . 55 ILE CG2 C 17.1 0.5 1 632 . 55 ILE CG1 C 27.7 0.5 1 633 . 55 ILE HG12 H 1.02 0.02 1 634 . 55 ILE HG13 H 1.48 0.02 1 635 . 55 ILE HD1 H 0.90 0.02 1 636 . 55 ILE CD1 C 13.7 0.5 1 637 . 56 LYS N N 128.2 0.5 1 638 . 56 LYS H H 9.02 0.02 1 639 . 56 LYS CA C 54.6 0.5 1 640 . 56 LYS HA H 4.78 0.02 1 641 . 56 LYS CB C 34.9 0.5 1 642 . 56 LYS HB2 H 1.71 0.02 2 643 . 56 LYS HB3 H 1.87 0.02 2 644 . 56 LYS CG C 24.8 0.5 1 645 . 56 LYS HG2 H 1.38 0.02 2 646 . 56 LYS HG3 H 1.42 0.02 2 647 . 56 LYS CD C 28.8 0.5 1 648 . 56 LYS HD2 H 1.71 0.02 1 649 . 56 LYS HD3 H 1.71 0.02 1 650 . 56 LYS CE C 41.8 0.5 1 651 . 56 LYS HE2 H 2.97 0.02 1 652 . 56 LYS HE3 H 2.97 0.02 1 653 . 57 THR N N 123.4 0.5 1 654 . 57 THR H H 8.85 0.02 1 655 . 57 THR CA C 62.3 0.5 1 656 . 57 THR HA H 4.56 0.02 1 657 . 57 THR CB C 69.9 0.5 1 658 . 57 THR HB H 3.98 0.02 1 659 . 57 THR HG2 H 1.17 0.02 1 660 . 57 THR CG2 C 21.8 0.5 1 661 . 58 GLU N N 126.8 0.5 1 662 . 58 GLU H H 8.84 0.02 1 663 . 58 GLU CA C 54.8 0.5 1 664 . 58 GLU HA H 4.53 0.02 1 665 . 58 GLU CB C 30.0 0.5 1 666 . 58 GLU HB2 H 1.94 0.02 1 667 . 58 GLU HB3 H 2.05 0.02 1 668 . 58 GLU CG C 35.2 0.5 1 669 . 58 GLU HG2 H 2.22 0.02 2 670 . 58 GLU HG3 H 2.28 0.02 2 671 . 59 TYR N N 124.2 0.5 1 672 . 59 TYR H H 8.49 0.02 1 673 . 59 TYR CA C 60.3 0.5 1 674 . 59 TYR HA H 4.19 0.02 1 675 . 59 TYR CB C 37.9 0.5 1 676 . 59 TYR HB2 H 2.94 0.02 1 677 . 59 TYR HB3 H 3.07 0.02 1 678 . 59 TYR HD1 H 7.14 0.02 1 679 . 59 TYR HD2 H 7.14 0.02 1 680 . 59 TYR HE1 H 6.86 0.02 1 681 . 59 TYR HE2 H 6.86 0.02 1 682 . 59 TYR CD1 C 132.2 0.5 1 683 . 59 TYR CE1 C 117.6 0.5 1 684 . 59 TYR CE2 C 117.6 0.5 1 685 . 59 TYR CD2 C 132.2 0.5 1 686 . 60 GLY N N 113.0 0.5 1 687 . 60 GLY H H 8.56 0.02 1 688 . 60 GLY CA C 45.3 0.5 1 689 . 60 GLY HA2 H 3.91 0.02 2 690 . 60 GLY HA3 H 3.56 0.02 2 691 . 61 MET N N 116.8 0.5 1 692 . 61 MET H H 7.69 0.02 1 693 . 61 MET CA C 54.1 0.5 1 694 . 61 MET HA H 4.64 0.02 1 695 . 61 MET CB C 33.7 0.5 1 696 . 61 MET HB2 H 2.06 0.02 1 697 . 61 MET HB3 H 2.06 0.02 1 698 . 61 MET CG C 32.1 0.5 1 699 . 61 MET HG2 H 2.38 0.02 2 700 . 61 MET HG3 H 2.59 0.02 2 701 . 61 MET HE H 2.05 0.02 1 702 . 61 MET CE C 17.0 0.5 1 703 . 62 GLN N N 119.5 0.5 1 704 . 62 GLN H H 8.51 0.02 1 705 . 62 GLN CA C 55.1 0.5 1 706 . 62 GLN HA H 3.87 0.02 1 707 . 62 GLN CB C 26.6 0.5 1 708 . 62 GLN HB2 H 1.79 0.02 1 709 . 62 GLN HB3 H 2.23 0.02 1 710 . 62 GLN CG C 34.6 0.5 1 711 . 62 GLN HG2 H 2.13 0.02 2 712 . 62 GLN HG3 H 2.31 0.02 2 713 . 62 GLN NE2 N 111.7 0.5 1 714 . 62 GLN HE21 H 7.34 0.02 1 715 . 62 GLN HE22 H 7.19 0.02 1 716 . 63 GLU N N 114.4 0.5 1 717 . 63 GLU H H 7.12 0.02 1 718 . 63 GLU CA C 54.3 0.5 1 719 . 63 GLU HA H 5.28 0.02 1 720 . 63 GLU CB C 33.2 0.5 1 721 . 63 GLU HB2 H 1.85 0.02 1 722 . 63 GLU HB3 H 1.85 0.02 1 723 . 63 GLU CG C 35.5 0.5 1 724 . 63 GLU HG2 H 2.10 0.02 1 725 . 63 GLU HG3 H 2.10 0.02 1 726 . 64 SER N N 117.5 0.5 1 727 . 64 SER H H 9.26 0.02 1 728 . 64 SER CA C 57.2 0.5 1 729 . 64 SER HA H 5.31 0.02 1 730 . 64 SER CB C 65.9 0.5 1 731 . 64 SER HB2 H 3.42 0.02 1 732 . 64 SER HB3 H 3.79 0.02 1 733 . 65 LYS N N 123.0 0.5 1 734 . 65 LYS H H 8.74 0.02 1 735 . 65 LYS CA C 55.0 0.5 1 736 . 65 LYS HA H 4.94 0.02 1 737 . 65 LYS CB C 34.6 0.5 1 738 . 65 LYS HB2 H 1.66 0.02 1 739 . 65 LYS HB3 H 1.78 0.02 1 740 . 65 LYS CG C 25.2 0.5 1 741 . 65 LYS HG2 H 1.29 0.02 2 742 . 65 LYS HG3 H 1.40 0.02 2 743 . 65 LYS CD C 29.2 0.5 1 744 . 65 LYS HD2 H 1.60 0.02 1 745 . 65 LYS HD3 H 1.60 0.02 1 746 . 65 LYS CE C 41.8 0.5 1 747 . 65 LYS HE2 H 2.86 0.02 1 748 . 65 LYS HE3 H 2.86 0.02 1 749 . 66 GLY N N 110.8 0.5 1 750 . 66 GLY H H 8.37 0.02 1 751 . 66 GLY CA C 44.3 0.5 1 752 . 66 GLY HA2 H 4.68 0.02 1 753 . 66 GLY HA3 H 2.58 0.02 1 754 . 67 TYR N N 120.6 0.5 1 755 . 67 TYR H H 8.18 0.02 1 756 . 67 TYR CA C 55.6 0.5 1 757 . 67 TYR HA H 5.74 0.02 1 758 . 67 TYR CB C 42.2 0.5 1 759 . 67 TYR HB2 H 2.68 0.02 1 760 . 67 TYR HB3 H 2.99 0.02 1 761 . 67 TYR HD1 H 7.06 0.02 1 762 . 67 TYR HD2 H 7.06 0.02 1 763 . 67 TYR HE1 H 6.62 0.02 1 764 . 67 TYR HE2 H 6.62 0.02 1 765 . 67 TYR CD1 C 132.7 0.5 1 766 . 67 TYR CE1 C 117.1 0.5 1 767 . 67 TYR CE2 C 117.1 0.5 1 768 . 67 TYR CD2 C 132.7 0.5 1 769 . 68 ALA N N 128.7 0.5 1 770 . 68 ALA H H 9.51 0.02 1 771 . 68 ALA CA C 49.3 0.5 1 772 . 68 ALA HA H 5.34 0.02 1 773 . 68 ALA HB H 1.29 0.02 1 774 . 68 ALA CB C 24.8 0.5 1 775 . 69 LYS N N 117.8 0.5 1 776 . 69 LYS H H 8.94 0.02 1 777 . 69 LYS CA C 53.5 0.5 1 778 . 69 LYS HA H 5.05 0.02 1 779 . 69 LYS CB C 36.8 0.5 1 780 . 69 LYS HB2 H 1.23 0.02 1 781 . 69 LYS HB3 H 1.48 0.02 1 782 . 69 LYS CG C 24.4 0.5 1 783 . 69 LYS HG2 H 0.89 0.02 2 784 . 69 LYS HG3 H 1.37 0.02 2 785 . 69 LYS CD C 28.7 0.5 1 786 . 69 LYS HD2 H 1.42 0.02 1 787 . 69 LYS HD3 H 1.42 0.02 1 788 . 69 LYS CE C 41.2 0.5 1 789 . 69 LYS HE2 H 2.72 0.02 1 790 . 69 LYS HE3 H 2.72 0.02 1 791 . 70 LEU N N 123.0 0.5 1 792 . 70 LEU H H 8.86 0.02 1 793 . 70 LEU CA C 52.4 0.5 1 794 . 70 LEU HA H 5.34 0.02 1 795 . 70 LEU CB C 44.9 0.5 1 796 . 70 LEU HB2 H 0.93 0.02 1 797 . 70 LEU HB3 H 1.59 0.02 1 798 . 70 LEU CG C 27.3 0.5 1 799 . 70 LEU HG H 1.38 0.02 1 800 . 70 LEU HD1 H 0.76 0.02 1 801 . 70 LEU HD2 H 0.77 0.02 1 802 . 70 LEU CD1 C 26.6 0.5 1 803 . 70 LEU CD2 C 23.4 0.5 1 804 . 71 TYR N N 129.1 0.5 1 805 . 71 TYR H H 9.23 0.02 1 806 . 71 TYR CA C 59.6 0.5 1 807 . 71 TYR HA H 4.62 0.02 1 808 . 71 TYR CB C 40.7 0.5 1 809 . 71 TYR HB2 H 2.94 0.02 1 810 . 71 TYR HB3 H 3.29 0.02 1 811 . 71 TYR HD1 H 7.29 0.02 1 812 . 71 TYR HD2 H 7.29 0.02 1 813 . 71 TYR HE1 H 6.73 0.02 1 814 . 71 TYR HE2 H 6.73 0.02 1 815 . 71 TYR CD1 C 133.0 0.5 1 816 . 71 TYR CE1 C 118.6 0.5 1 817 . 71 TYR CE2 C 118.6 0.5 1 818 . 71 TYR CD2 C 133.0 0.5 1 819 . 72 GLU N N 115.2 0.5 1 820 . 72 GLU H H 8.67 0.02 1 821 . 72 GLU CA C 56.7 0.5 1 822 . 72 GLU HA H 4.31 0.02 1 823 . 72 GLU CB C 31.0 0.5 1 824 . 72 GLU HB2 H 1.99 0.02 1 825 . 72 GLU HB3 H 2.13 0.02 1 826 . 72 GLU CG C 35.9 0.5 1 827 . 72 GLU HG2 H 2.26 0.02 2 828 . 72 GLU HG3 H 2.31 0.02 2 829 . 73 ASP N N 115.0 0.5 1 830 . 73 ASP H H 7.64 0.02 1 831 . 73 ASP CA C 53.2 0.5 1 832 . 73 ASP HA H 4.76 0.02 1 833 . 73 ASP CB C 44.5 0.5 1 834 . 73 ASP HB2 H 2.80 0.02 1 835 . 73 ASP HB3 H 2.74 0.02 1 836 . 74 ALA N N 125.8 0.5 1 837 . 74 ALA H H 9.10 0.02 1 838 . 74 ALA CA C 54.7 0.5 1 839 . 74 ALA HA H 3.82 0.02 1 840 . 74 ALA HB H 1.38 0.02 1 841 . 74 ALA CB C 18.4 0.5 1 842 . 75 ASP N N 119.7 0.5 1 843 . 75 ASP H H 8.32 0.02 1 844 . 75 ASP CA C 57.5 0.5 1 845 . 75 ASP HA H 4.40 0.02 1 846 . 75 ASP CB C 40.0 0.5 1 847 . 75 ASP HB2 H 2.61 0.02 2 848 . 75 ASP HB3 H 2.77 0.02 2 849 . 76 ARG N N 122.1 0.5 1 850 . 76 ARG H H 8.63 0.02 1 851 . 76 ARG CA C 57.2 0.5 1 852 . 76 ARG HA H 4.06 0.02 1 853 . 76 ARG CB C 29.2 0.5 1 854 . 76 ARG HB2 H 2.00 0.02 1 855 . 76 ARG HB3 H 2.16 0.02 1 856 . 76 ARG CG C 26.6 0.5 1 857 . 76 ARG HG2 H 1.74 0.02 2 858 . 76 ARG HG3 H 2.01 0.02 2 859 . 76 ARG CD C 42.4 0.5 1 860 . 76 ARG HD2 H 3.13 0.02 2 861 . 76 ARG HD3 H 3.43 0.02 2 862 . 76 ARG NE N 85.3 0.5 1 863 . 76 ARG HE H 7.49 0.02 1 864 . 77 MET N N 117.1 0.5 1 865 . 77 MET H H 7.62 0.02 1 866 . 77 MET CA C 58.9 0.5 1 867 . 77 MET HA H 2.63 0.02 1 868 . 77 MET CB C 32.4 0.5 1 869 . 77 MET HB2 H 1.31 0.02 1 870 . 77 MET HB3 H 1.99 0.02 1 871 . 77 MET CG C 30.9 0.5 1 872 . 77 MET HG2 H 1.40 0.02 2 873 . 77 MET HG3 H 1.72 0.02 2 874 . 77 MET HE H 1.96 0.02 1 875 . 77 MET CE C 17.6 0.5 1 876 . 78 LYS N N 116.3 0.5 1 877 . 78 LYS H H 7.53 0.02 1 878 . 78 LYS CA C 59.1 0.5 1 879 . 78 LYS HA H 3.80 0.02 1 880 . 78 LYS CB C 32.0 0.5 1 881 . 78 LYS HB2 H 1.82 0.02 1 882 . 78 LYS HB3 H 1.82 0.02 1 883 . 78 LYS CG C 25.1 0.5 1 884 . 78 LYS HG2 H 1.32 0.02 2 885 . 78 LYS HG3 H 1.51 0.02 2 886 . 78 LYS CD C 29.2 0.5 1 887 . 78 LYS HD2 H 1.64 0.02 1 888 . 78 LYS HD3 H 1.64 0.02 1 889 . 78 LYS CE C 41.6 0.5 1 890 . 78 LYS HE2 H 2.89 0.02 1 891 . 78 LYS HE3 H 2.89 0.02 1 892 . 79 GLN N N 116.7 0.5 1 893 . 79 GLN H H 7.55 0.02 1 894 . 79 GLN CA C 58.1 0.5 1 895 . 79 GLN HA H 4.02 0.02 1 896 . 79 GLN CB C 28.9 0.5 1 897 . 79 GLN HB2 H 2.19 0.02 2 898 . 79 GLN HB3 H 2.31 0.02 2 899 . 79 GLN CG C 33.2 0.5 1 900 . 79 GLN HG2 H 2.30 0.02 2 901 . 79 GLN HG3 H 2.53 0.02 2 902 . 79 GLN NE2 N 111.7 0.5 1 903 . 79 GLN HE21 H 7.47 0.02 2 904 . 79 GLN HE22 H 6.80 0.02 2 905 . 80 VAL N N 118.2 0.5 1 906 . 80 VAL H H 8.21 0.02 1 907 . 80 VAL CA C 65.3 0.5 1 908 . 80 VAL HA H 3.77 0.02 1 909 . 80 VAL CB C 32.8 0.5 1 910 . 80 VAL HB H 2.16 0.02 1 911 . 80 VAL HG1 H 1.16 0.02 1 912 . 80 VAL HG2 H 1.19 0.02 1 913 . 80 VAL CG1 C 24.3 0.5 1 914 . 80 VAL CG2 C 22.5 0.5 1 915 . 81 GLU N N 116.9 0.5 1 916 . 81 GLU H H 8.59 0.02 1 917 . 81 GLU CA C 57.2 0.5 1 918 . 81 GLU HA H 4.07 0.02 1 919 . 81 GLU CB C 29.0 0.5 1 920 . 81 GLU HB2 H 1.92 0.02 2 921 . 81 GLU HB3 H 2.19 0.02 2 922 . 81 GLU CG C 36.2 0.5 1 923 . 81 GLU HG2 H 2.26 0.02 1 924 . 81 GLU HG3 H 2.26 0.02 1 925 . 82 GLN N N 117.1 0.5 1 926 . 82 GLN H H 7.77 0.02 1 927 . 82 GLN CA C 56.8 0.5 1 928 . 82 GLN HA H 4.24 0.02 1 929 . 82 GLN CB C 28.7 0.5 1 930 . 82 GLN HB2 H 2.12 0.02 1 931 . 82 GLN HB3 H 2.12 0.02 1 932 . 82 GLN CG C 33.9 0.5 1 933 . 82 GLN HG2 H 2.39 0.02 1 934 . 82 GLN HG3 H 2.39 0.02 1 935 . 82 GLN NE2 N 111.4 0.5 1 936 . 82 GLN HE21 H 7.47 0.02 1 937 . 82 GLN HE22 H 6.83 0.02 1 938 . 83 GLU N N 119.4 0.5 1 939 . 83 GLU H H 7.96 0.02 1 940 . 83 GLU CA C 57.7 0.5 1 941 . 83 GLU HA H 4.10 0.02 1 942 . 83 GLU CB C 29.1 0.5 1 943 . 83 GLU HB2 H 1.96 0.02 2 944 . 83 GLU HB3 H 2.01 0.02 2 945 . 83 GLU CG C 35.5 0.5 1 946 . 83 GLU HG2 H 2.15 0.02 2 947 . 83 GLU HG3 H 2.28 0.02 2 948 . 84 TYR N N 118.4 0.5 1 949 . 84 TYR H H 7.93 0.02 1 950 . 84 TYR CA C 58.7 0.5 1 951 . 84 TYR HA H 4.46 0.02 1 952 . 84 TYR CB C 38.2 0.5 1 953 . 84 TYR HB2 H 3.04 0.02 1 954 . 84 TYR HB3 H 3.13 0.02 1 955 . 84 TYR HD1 H 7.16 0.02 1 956 . 84 TYR HD2 H 7.16 0.02 1 957 . 84 TYR HE1 H 6.80 0.02 1 958 . 84 TYR HE2 H 6.80 0.02 1 959 . 84 TYR CD1 C 132.0 0.5 1 960 . 84 TYR CE1 C 117.7 0.5 1 961 . 84 TYR CE2 C 117.7 0.5 1 962 . 84 TYR CD2 C 132.0 0.5 1 963 . 85 VAL N N 119.9 0.5 1 964 . 85 VAL H H 7.61 0.02 1 965 . 85 VAL CA C 63.2 0.5 1 966 . 85 VAL HA H 3.88 0.02 1 967 . 85 VAL CB C 32.4 0.5 1 968 . 85 VAL HB H 2.08 0.02 1 969 . 85 VAL HG1 H 0.90 0.02 2 970 . 85 VAL HG2 H 0.95 0.02 2 971 . 85 VAL CG1 C 21.0 0.5 2 972 . 85 VAL CG2 C 21.1 0.5 2 973 . 86 LEU N N 123.1 0.5 1 974 . 86 LEU H H 7.99 0.02 1 975 . 86 LEU CA C 55.5 0.5 1 976 . 86 LEU HA H 4.24 0.02 1 977 . 86 LEU CB C 42.0 0.5 1 978 . 86 LEU HB2 H 1.56 0.02 2 979 . 86 LEU HB3 H 1.69 0.02 2 980 . 86 LEU CG C 27.0 0.5 1 981 . 86 LEU HG H 1.61 0.02 1 982 . 86 LEU HD1 H 0.85 0.02 2 983 . 86 LEU HD2 H 0.91 0.02 2 984 . 86 LEU CD1 C 23.4 0.5 2 985 . 86 LEU CD2 C 24.8 0.5 2 986 . 87 LYS N N 121.0 0.5 1 987 . 87 LYS H H 8.08 0.02 1 988 . 87 LYS CA C 56.4 0.5 1 989 . 87 LYS HA H 4.25 0.02 1 990 . 87 LYS CB C 32.5 0.5 1 991 . 87 LYS HB2 H 1.77 0.02 1 992 . 87 LYS HB3 H 1.83 0.02 1 993 . 87 LYS CG C 24.8 0.5 1 994 . 87 LYS HG2 H 1.38 0.02 2 995 . 87 LYS HG3 H 1.46 0.02 2 996 . 87 LYS CD C 28.8 0.5 1 997 . 87 LYS HD2 H 1.65 0.02 1 998 . 87 LYS HD3 H 1.65 0.02 1 999 . 87 LYS CE C 41.6 0.5 1 1000 . 87 LYS HE2 H 2.96 0.02 1 1001 . 87 LYS HE3 H 2.96 0.02 1 1002 . 88 ARG N N 121.1 0.5 1 1003 . 88 ARG H H 8.13 0.02 1 1004 . 88 ARG CA C 56.5 0.5 1 1005 . 88 ARG HA H 4.24 0.02 1 1006 . 88 ARG CB C 30.5 0.5 1 1007 . 88 ARG HB2 H 1.74 0.02 2 1008 . 88 ARG HB3 H 1.81 0.02 2 1009 . 88 ARG CG C 27.0 0.5 1 1010 . 88 ARG HG2 H 1.60 0.02 1 1011 . 88 ARG HG3 H 1.60 0.02 1 1012 . 88 ARG CD C 43.2 0.5 1 1013 . 88 ARG HD2 H 3.15 0.02 1 1014 . 88 ARG HD3 H 3.15 0.02 1 1015 . 88 ARG NE N 84.6 0.5 1 1016 . 88 ARG HE H 7.21 0.02 1 1017 . 89 ASN N N 118.9 0.5 1 1018 . 89 ASN H H 8.34 0.02 1 1019 . 89 ASN CA C 52.9 0.5 1 1020 . 89 ASN HA H 4.65 0.02 1 1021 . 89 ASN CB C 38.6 0.5 1 1022 . 89 ASN HB2 H 2.72 0.02 1 1023 . 89 ASN HB3 H 2.83 0.02 1 1024 . 89 ASN ND2 N 112.7 0.5 1 1025 . 89 ASN HD21 H 7.60 0.02 2 1026 . 89 ASN HD22 H 6.89 0.02 2 1027 . 90 ALA N N 123.7 0.5 1 1028 . 90 ALA H H 8.08 0.02 1 1029 . 90 ALA CA C 52.3 0.5 1 1030 . 90 ALA HA H 4.31 0.02 1 1031 . 90 ALA HB H 1.35 0.02 1 1032 . 90 ALA CB C 19.1 0.5 1 1033 . 91 VAL N N 120.5 0.5 1 1034 . 91 VAL H H 8.12 0.02 1 1035 . 91 VAL CA C 59.6 0.5 1 1036 . 91 VAL HA H 4.38 0.02 1 1037 . 91 VAL CB C 32.4 0.5 1 1038 . 91 VAL HB H 2.06 0.02 1 1039 . 91 VAL HG1 H 0.93 0.02 2 1040 . 91 VAL HG2 H 0.95 0.02 2 1041 . 91 VAL CG1 C 20.3 0.5 1 1042 . 91 VAL CG2 C 20.8 0.5 1 1043 . 92 PRO CD C 50.8 0.5 1 1044 . 92 PRO CA C 63.6 0.5 1 1045 . 92 PRO HA H 4.39 0.02 1 1046 . 92 PRO CB C 31.9 0.5 1 1047 . 92 PRO HB2 H 1.91 0.02 2 1048 . 92 PRO HB3 H 2.30 0.02 2 1049 . 92 PRO CG C 27.4 0.5 1 1050 . 92 PRO HG2 H 1.97 0.02 2 1051 . 92 PRO HG3 H 2.07 0.02 2 1052 . 92 PRO HD2 H 3.67 0.02 2 1053 . 92 PRO HD3 H 3.88 0.02 2 1054 . 93 GLY N N 110.4 0.5 1 1055 . 93 GLY H H 8.64 0.02 1 1056 . 93 GLY CA C 45.3 0.5 1 1057 . 93 GLY HA2 H 3.93 0.02 2 1058 . 93 GLY HA3 H 4.06 0.02 2 1059 . 94 SER N N 115.2 0.5 1 1060 . 94 SER H H 8.16 0.02 1 1061 . 94 SER CA C 58.3 0.5 1 1062 . 94 SER HA H 4.44 0.02 1 1063 . 94 SER CB C 63.6 0.5 1 1064 . 94 SER HB2 H 3.86 0.02 2 1065 . 94 SER HB3 H 3.92 0.02 2 1066 . 95 GLU N N 122.4 0.5 1 1067 . 95 GLU H H 8.72 0.02 1 1068 . 95 GLU CA C 56.6 0.5 1 1069 . 95 GLU HA H 4.38 0.02 1 1070 . 95 GLU CB C 29.6 0.5 1 1071 . 95 GLU HB2 H 1.98 0.02 2 1072 . 95 GLU HB3 H 2.10 0.02 2 1073 . 95 GLU CG C 35.6 0.5 1 1074 . 95 GLU HG2 H 2.30 0.02 1 1075 . 95 GLU HG3 H 2.30 0.02 1 1076 . 96 THR N N 114.0 0.5 1 1077 . 96 THR H H 8.13 0.02 1 1078 . 96 THR CA C 61.8 0.5 1 1079 . 96 THR HA H 4.33 0.02 1 1080 . 96 THR CB C 69.5 0.5 1 1081 . 96 THR HB H 4.23 0.02 1 1082 . 96 THR HG2 H 1.18 0.02 1 1083 . 96 THR CG2 C 21.7 0.5 1 1084 . 97 GLU N N 122.8 0.5 1 1085 . 97 GLU H H 8.37 0.02 1 1086 . 97 GLU CA C 56.7 0.5 1 1087 . 97 GLU HA H 4.30 0.02 1 1088 . 97 GLU CB C 30.0 0.5 1 1089 . 97 GLU HB2 H 1.97 0.02 2 1090 . 97 GLU HB3 H 2.07 0.02 2 1091 . 97 GLU CG C 35.7 0.5 1 1092 . 97 GLU HG2 H 2.31 0.02 1 1093 . 97 GLU HG3 H 2.31 0.02 1 1094 . 98 GLY N N 109.6 0.5 1 1095 . 98 GLY H H 8.45 0.02 1 1096 . 98 GLY CA C 45.3 0.5 1 1097 . 98 GLY HA2 H 3.97 0.02 1 1098 . 98 GLY HA3 H 3.97 0.02 1 1099 . 99 GLU N N 120.5 0.5 1 1100 . 99 GLU H H 8.29 0.02 1 1101 . 99 GLU CA C 57.0 0.5 1 1102 . 99 GLU HA H 4.20 0.02 1 1103 . 99 GLU CB C 29.6 0.5 1 1104 . 99 GLU HB2 H 1.98 0.02 2 1105 . 99 GLU HB3 H 2.06 0.02 2 1106 . 99 GLU CG C 35.5 0.5 1 1107 . 99 GLU HG2 H 2.29 0.02 1 1108 . 99 GLU HG3 H 2.29 0.02 1 1109 . 100 GLU N N 120.9 0.5 1 1110 . 100 GLU H H 8.54 0.02 1 1111 . 100 GLU CA C 57.3 0.5 1 1112 . 100 GLU HA H 4.16 0.02 1 1113 . 100 GLU CB C 29.4 0.5 1 1114 . 100 GLU HB2 H 1.97 0.02 2 1115 . 100 GLU HB3 H 2.01 0.02 2 1116 . 100 GLU CG C 35.5 0.5 1 1117 . 100 GLU HG2 H 2.29 0.02 1 1118 . 100 GLU HG3 H 2.29 0.02 1 1119 . 101 ALA N N 123.1 0.5 1 1120 . 101 ALA H H 8.12 0.02 1 1121 . 101 ALA CA C 52.7 0.5 1 1122 . 101 ALA HA H 4.19 0.02 1 1123 . 101 ALA HB H 1.36 0.02 1 1124 . 101 ALA CB C 18.5 0.5 1 stop_ save_