data_7300 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the COMMD1 N-terminal domain ; _BMRB_accession_number 7300 _BMRB_flat_file_name bmr7300.str _Entry_type original _Submission_date 2006-09-20 _Accession_date 2006-09-22 _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 Sommerhalter Monika . . 2 Zhang Yongbo . . 3 Rosenzweig Amy C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 608 "13C chemical shifts" 439 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-17 update BMRB 'complete entry citation' 2006-12-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the COMMD1 N-terminal domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17097678 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sommerhalter Monika . . 2 Zhang Yongbo . . 3 Rosenzweig Amy C. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 365 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 715 _Page_last 721 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'COMMD1 N-terminal domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'COMMD1 N-terminal domain' $COMMD1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_COMMD1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common COMMD1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 118 _Mol_residue_sequence ; MAAGELEGGKPLSGLLNALA QDTFHGYPGITEELLRSQLY PEVPPEEFRPFLAKMRGILK SIASADMDFNQLEAFLTAQT KKQGGITSDQAAVISKFWKS HKTKIRESLMNQSRWNSG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ALA 4 GLY 5 GLU 6 LEU 7 GLU 8 GLY 9 GLY 10 LYS 11 PRO 12 LEU 13 SER 14 GLY 15 LEU 16 LEU 17 ASN 18 ALA 19 LEU 20 ALA 21 GLN 22 ASP 23 THR 24 PHE 25 HIS 26 GLY 27 TYR 28 PRO 29 GLY 30 ILE 31 THR 32 GLU 33 GLU 34 LEU 35 LEU 36 ARG 37 SER 38 GLN 39 LEU 40 TYR 41 PRO 42 GLU 43 VAL 44 PRO 45 PRO 46 GLU 47 GLU 48 PHE 49 ARG 50 PRO 51 PHE 52 LEU 53 ALA 54 LYS 55 MET 56 ARG 57 GLY 58 ILE 59 LEU 60 LYS 61 SER 62 ILE 63 ALA 64 SER 65 ALA 66 ASP 67 MET 68 ASP 69 PHE 70 ASN 71 GLN 72 LEU 73 GLU 74 ALA 75 PHE 76 LEU 77 THR 78 ALA 79 GLN 80 THR 81 LYS 82 LYS 83 GLN 84 GLY 85 GLY 86 ILE 87 THR 88 SER 89 ASP 90 GLN 91 ALA 92 ALA 93 VAL 94 ILE 95 SER 96 LYS 97 PHE 98 TRP 99 LYS 100 SER 101 HIS 102 LYS 103 THR 104 LYS 105 ILE 106 ARG 107 GLU 108 SER 109 LEU 110 MET 111 ASN 112 GLN 113 SER 114 ARG 115 TRP 116 ASN 117 SER 118 GLY 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 2H2M "Solution Structure Of The N-Terminal Domain Of Commd1 (Murr1)" 91.53 108 100.00 100.00 6.31e-72 DBJ BAD18972 "MURR1 [Homo sapiens]" 100.00 190 100.00 100.00 6.48e-80 DBJ BAD97327 "MURR1 variant [Homo sapiens]" 100.00 190 99.15 99.15 1.53e-78 DBJ BAG57515 "unnamed protein product [Homo sapiens]" 100.00 159 100.00 100.00 6.30e-80 DBJ BAJ20791 "copper metabolism (Murr1) domain containing 1 [synthetic construct]" 100.00 190 100.00 100.00 6.48e-80 GB AAH09266 "COMMD1 protein, partial [Homo sapiens]" 96.61 186 100.00 100.00 5.64e-77 GB AAH22046 "Copper metabolism (Murr1) domain containing 1 [Homo sapiens]" 100.00 190 100.00 100.00 6.48e-80 GB AAY24141 "unknown [Homo sapiens]" 50.85 60 100.00 100.00 2.56e-34 GB ADQ32226 "copper metabolism (Murr1) domain containing 1 [synthetic construct]" 100.00 190 100.00 100.00 6.48e-80 GB AIC57816 "COMMD1, partial [synthetic construct]" 100.00 190 100.00 100.00 6.48e-80 REF NP_689729 "COMM domain-containing protein 1 [Homo sapiens]" 100.00 190 100.00 100.00 6.48e-80 REF XP_003262484 "PREDICTED: COMM domain-containing protein 1 [Nomascus leucogenys]" 100.00 190 99.15 99.15 2.21e-78 REF XP_003788045 "PREDICTED: COMM domain-containing protein 1 [Otolemur garnettii]" 80.51 219 97.89 100.00 3.15e-61 REF XP_003830923 "PREDICTED: COMM domain-containing protein 1 [Pan paniscus]" 100.00 190 99.15 99.15 7.29e-79 REF XP_003908759 "PREDICTED: COMM domain-containing protein 1-like isoform X3 [Papio anubis]" 50.00 117 98.31 100.00 5.75e-32 SP Q8N668 "RecName: Full=COMM domain-containing protein 1; AltName: Full=Protein Murr1 [Homo sapiens]" 100.00 190 100.00 100.00 6.48e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $COMMD1 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 $COMMD1 '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 $COMMD1 1 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer . _Model . _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_(3D)_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '(3D) HNCACB' _Sample_label $sample_1 save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label $sample_1 save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HC(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _Sample_label $sample_1 save_ save_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _Sample_label $sample_1 save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_2D_(HB)CB(CGCD)HD_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample_1 save_ save_(HB)CB(CGCDCE)HE_9 _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCDCE)HE _Sample_label $sample_1 save_ save_3D_15N-edited_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _Sample_label $sample_1 save_ save_13C-edited_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY' _Sample_label $sample_1 save_ save_(3D)_HNCACB _Saveframe_category NMR_applied_experiment _Experiment_name '(3D) HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCA(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_C(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HC(CO)NH _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-COSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_2D_(HB)CB(CGCD)HD _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _BMRB_pulse_sequence_accession_number . _Details . save_ save_(HB)CB(CGCDCE)HE _Saveframe_category NMR_applied_experiment _Experiment_name (HB)CB(CGCDCE)HE _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_15N-edited_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_13C-edited_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 0.2 pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'COMMD1 N-terminal domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.13 0.02 1 2 1 1 MET HB2 H 2.19 0.01 2 3 1 1 MET HG2 H 2.64 0.01 1 4 1 1 MET HG3 H 2.64 0.01 1 5 1 1 MET C C 177.81 0.05 1 6 1 1 MET CA C 53.18 0.17 1 7 1 1 MET CB C 31.20 0.17 1 8 1 1 MET CG C 29.01 0.04 1 9 2 2 ALA H H 10.74 0.01 1 10 2 2 ALA HA H 4.44 0.01 1 11 2 2 ALA HB H 1.45 0.01 1 12 2 2 ALA C C 173.08 0.05 1 13 2 2 ALA CA C 50.28 0.06 1 14 2 2 ALA CB C 17.54 0.09 1 15 2 2 ALA N N 127.54 0.04 1 16 3 3 ALA H H 10.73 0.01 1 17 3 3 ALA HA H 4.30 0.01 1 18 3 3 ALA HB H 1.44 0.01 1 19 3 3 ALA C C 171.66 0.05 1 20 3 3 ALA CA C 51.12 0.07 1 21 3 3 ALA CB C 17.08 0.10 1 22 3 3 ALA N N 124.20 0.01 1 23 4 4 GLY H H 8.52 0.01 1 24 4 4 GLY HA2 H 3.98 0.01 1 25 4 4 GLY HA3 H 3.98 0.01 1 26 4 4 GLY C C 175.52 0.05 1 27 4 4 GLY CA C 43.65 0.06 1 28 4 4 GLY N N 108.37 0.02 1 29 5 5 GLU H H 8.26 0.01 1 30 5 5 GLU HA H 4.29 0.01 1 31 5 5 GLU HB2 H 2.13 0.01 2 32 5 5 GLU HB3 H 2.00 0.01 2 33 5 5 GLU HG2 H 2.31 0.01 1 34 5 5 GLU HG3 H 2.31 0.01 1 35 5 5 GLU C C 173.23 0.05 1 36 5 5 GLU CA C 55.10 0.08 1 37 5 5 GLU CB C 28.41 0.08 1 38 5 5 GLU CG C 34.44 0.07 1 39 5 5 GLU N N 120.53 0.03 1 40 6 6 LEU H H 8.26 0.01 1 41 6 6 LEU HA H 4.33 0.01 1 42 6 6 LEU HB2 H 1.60 0.01 2 43 6 6 LEU HB3 H 1.46 0.01 2 44 6 6 LEU HG H 1.58 0.01 1 45 6 6 LEU HD1 H 0.82 0.01 1 46 6 6 LEU HD2 H 0.70 0.01 1 47 6 6 LEU C C 172.45 0.05 1 48 6 6 LEU CA C 53.40 0.06 1 49 6 6 LEU CB C 40.05 0.08 1 50 6 6 LEU CG C 25.07 0.06 1 51 6 6 LEU CD1 C 23.15 0.03 2 52 6 6 LEU CD2 C 21.52 0.02 2 53 6 6 LEU N N 121.63 0.01 1 54 7 7 GLU H H 8.45 0.01 1 55 7 7 GLU HA H 4.28 0.01 1 56 7 7 GLU HB2 H 2.15 0.01 2 57 7 7 GLU HB3 H 2.00 0.01 2 58 7 7 GLU HG2 H 2.33 0.01 1 59 7 7 GLU HG3 H 2.33 0.01 1 60 7 7 GLU C C 172.84 0.05 1 61 7 7 GLU CA C 55.29 0.05 1 62 7 7 GLU CB C 28.19 0.07 1 63 7 7 GLU CG C 34.42 0.03 1 64 7 7 GLU N N 121.52 0.02 1 65 8 8 GLY H H 8.47 0.01 1 66 8 8 GLY HA2 H 3.97 0.01 2 67 8 8 GLY HA3 H 4.10 0.01 2 68 8 8 GLY C C 174.93 0.05 1 69 8 8 GLY CA C 43.79 0.11 1 70 8 8 GLY N N 109.64 0.02 1 71 9 9 GLY H H 8.53 0.01 1 72 9 9 GLY HA2 H 4.05 0.01 1 73 9 9 GLY HA3 H 4.05 0.01 1 74 9 9 GLY C C 175.55 0.05 1 75 9 9 GLY CA C 44.44 0.04 1 76 9 9 GLY N N 110.30 0.01 1 77 10 10 LYS H H 8.49 0.01 1 78 10 10 LYS HA H 4.49 0.01 1 79 10 10 LYS HB2 H 2.01 0.01 1 80 10 10 LYS HB3 H 2.01 0.01 1 81 10 10 LYS HG2 H 1.65 0.01 2 82 10 10 LYS HG3 H 1.51 0.01 2 83 10 10 LYS HD2 H 1.78 0.01 1 84 10 10 LYS HD3 H 1.78 0.01 1 85 10 10 LYS HE2 H 3.06 0.01 1 86 10 10 LYS HE3 H 3.06 0.01 1 87 10 10 LYS CA C 56.78 0.05 1 88 10 10 LYS CB C 28.63 0.06 1 89 10 10 LYS CG C 23.42 0.03 1 90 10 10 LYS CD C 27.30 0.07 1 91 10 10 LYS CE C 40.24 0.06 1 92 10 10 LYS N N 121.78 0.01 1 93 11 11 PRO HA H 4.32 0.01 1 94 11 11 PRO HB2 H 1.91 0.01 2 95 11 11 PRO HB3 H 1.60 0.01 2 96 11 11 PRO HG2 H 2.06 0.01 2 97 11 11 PRO HG3 H 1.93 0.01 2 98 11 11 PRO HD2 H 3.83 0.01 2 99 11 11 PRO HD3 H 3.78 0.01 2 100 11 11 PRO C C 172.46 0.05 1 101 11 11 PRO CA C 64.12 0.04 1 102 11 11 PRO CB C 28.69 0.07 1 103 11 11 PRO CG C 26.08 0.06 1 104 11 11 PRO CD C 48.49 0.02 1 105 12 12 LEU H H 7.53 0.01 1 106 12 12 LEU HA H 4.64 0.01 1 107 12 12 LEU HB2 H 1.99 0.01 1 108 12 12 LEU HB3 H 1.99 0.01 1 109 12 12 LEU HG H 1.66 0.01 1 110 12 12 LEU HD1 H 1.27 0.01 1 111 12 12 LEU HD2 H 1.14 0.01 1 112 12 12 LEU C C 171.33 0.05 1 113 12 12 LEU CA C 55.61 0.08 1 114 12 12 LEU CB C 39.09 0.04 1 115 12 12 LEU CG C 25.59 0.10 1 116 12 12 LEU CD1 C 21.00 0.04 2 117 12 12 LEU CD2 C 24.57 0.04 2 118 12 12 LEU N N 117.76 0.02 1 119 13 13 SER H H 8.23 0.01 1 120 13 13 SER HA H 4.11 0.01 1 121 13 13 SER HB2 H 4.00 0.02 1 122 13 13 SER HB3 H 4.00 0.02 1 123 13 13 SER C C 172.84 0.05 1 124 13 13 SER CA C 60.67 0.10 1 125 13 13 SER CB C 60.61 0.17 1 126 13 13 SER N N 114.85 0.02 1 127 14 14 GLY H H 8.11 0.01 1 128 14 14 GLY HA2 H 3.99 0.01 2 129 14 14 GLY HA3 H 3.86 0.01 2 130 14 14 GLY C C 173.68 0.05 1 131 14 14 GLY CA C 45.19 0.10 1 132 14 14 GLY N N 109.34 0.02 1 133 15 15 LEU H H 8.73 0.01 1 134 15 15 LEU HA H 4.07 0.01 1 135 15 15 LEU HB2 H 2.48 0.01 2 136 15 15 LEU HB3 H 2.01 0.01 2 137 15 15 LEU HG H 1.60 0.01 1 138 15 15 LEU HD1 H 1.19 0.01 1 139 15 15 LEU HD2 H 0.93 0.01 1 140 15 15 LEU C C 172.20 0.05 1 141 15 15 LEU CA C 56.47 0.05 1 142 15 15 LEU CB C 40.26 0.04 1 143 15 15 LEU CG C 25.16 0.05 1 144 15 15 LEU CD1 C 23.61 0.04 2 145 15 15 LEU CD2 C 24.25 0.03 2 146 15 15 LEU N N 126.14 0.01 1 147 16 16 LEU H H 8.61 0.01 1 148 16 16 LEU HA H 3.57 0.01 1 149 16 16 LEU HB2 H 0.01 0.01 2 150 16 16 LEU HB3 H 1.25 0.01 2 151 16 16 LEU HG H 1.87 0.01 1 152 16 16 LEU HD1 H 0.55 0.01 1 153 16 16 LEU HD2 H 0.64 0.01 1 154 16 16 LEU C C 172.21 0.05 1 155 16 16 LEU CA C 56.05 0.08 1 156 16 16 LEU CB C 37.45 0.05 1 157 16 16 LEU CG C 24.24 0.07 1 158 16 16 LEU CD1 C 19.52 0.04 2 159 16 16 LEU CD2 C 25.88 0.03 2 160 16 16 LEU N N 118.14 0.01 1 161 17 17 ASN H H 7.83 0.01 1 162 17 17 ASN HA H 4.49 0.01 1 163 17 17 ASN HB2 H 2.90 0.01 2 164 17 17 ASN HB3 H 3.01 0.01 2 165 17 17 ASN HD21 H 7.15 0.01 2 166 17 17 ASN HD22 H 7.73 0.01 2 167 17 17 ASN C C 172.69 0.05 1 168 17 17 ASN CA C 55.12 0.08 1 169 17 17 ASN CB C 37.30 0.08 1 170 17 17 ASN N N 115.17 0.02 1 171 17 17 ASN ND2 N 113.92 0.03 1 172 18 18 ALA H H 7.84 0.01 1 173 18 18 ALA HA H 4.32 0.01 1 174 18 18 ALA HB H 1.59 0.01 1 175 18 18 ALA C C 169.66 0.05 1 176 18 18 ALA CA C 53.21 0.07 1 177 18 18 ALA CB C 16.89 0.04 1 178 18 18 ALA N N 121.47 0.03 1 179 19 19 LEU H H 8.47 0.01 1 180 19 19 LEU HA H 4.11 0.01 1 181 19 19 LEU HB2 H 1.85 0.01 2 182 19 19 LEU HB3 H 1.32 0.01 2 183 19 19 LEU HG H 1.93 0.01 1 184 19 19 LEU HD1 H 0.78 0.01 1 185 19 19 LEU HD2 H 0.60 0.01 1 186 19 19 LEU CA C 54.83 0.04 1 187 19 19 LEU CB C 40.45 0.05 1 188 19 19 LEU CG C 24.34 0.03 1 189 19 19 LEU CD1 C 20.29 0.03 2 190 19 19 LEU CD2 C 23.41 0.03 2 191 19 19 LEU N N 117.42 0.05 1 192 20 20 ALA HA H 4.04 0.01 1 193 20 20 ALA HB H 1.69 0.01 1 194 20 20 ALA C C 171.63 0.05 1 195 20 20 ALA CA C 52.40 0.08 1 196 20 20 ALA CB C 16.76 0.05 1 197 21 21 GLN H H 7.84 0.01 1 198 21 21 GLN HA H 4.32 0.01 1 199 21 21 GLN HB2 H 2.33 0.01 1 200 21 21 GLN HB3 H 2.33 0.01 1 201 21 21 GLN HG2 H 2.60 0.01 1 202 21 21 GLN HG3 H 2.60 0.01 1 203 21 21 GLN HE21 H 6.86 0.01 2 204 21 21 GLN HE22 H 7.46 0.01 2 205 21 21 GLN C C 173.20 0.05 1 206 21 21 GLN CA C 55.46 0.03 1 207 21 21 GLN CB C 26.95 0.07 1 208 21 21 GLN CG C 32.00 0.10 1 209 21 21 GLN N N 116.56 0.02 1 210 21 21 GLN NE2 N 111.95 0.03 1 211 22 22 ASP H H 8.02 0.01 1 212 22 22 ASP HA H 4.54 0.01 1 213 22 22 ASP HB2 H 2.76 0.01 1 214 22 22 ASP HB3 H 2.76 0.01 1 215 22 22 ASP C C 173.04 0.05 1 216 22 22 ASP CA C 54.01 0.08 1 217 22 22 ASP CB C 39.89 0.07 1 218 22 22 ASP N N 119.77 0.03 1 219 23 23 THR H H 8.04 0.01 1 220 23 23 THR HA H 4.04 0.01 1 221 23 23 THR HB H 3.92 0.03 1 222 23 23 THR HG2 H 0.99 0.01 1 223 23 23 THR C C 175.09 0.05 1 224 23 23 THR CA C 62.02 0.08 1 225 23 23 THR CB C 67.40 0.08 1 226 23 23 THR CG2 C 19.51 0.06 1 227 23 23 THR N N 113.16 0.01 1 228 24 24 PHE H H 8.12 0.01 1 229 24 24 PHE HA H 4.65 0.01 1 230 24 24 PHE HB2 H 3.14 0.01 2 231 24 24 PHE HB3 H 2.96 0.01 2 232 24 24 PHE C C 174.11 0.05 1 233 24 24 PHE CA C 56.28 0.11 1 234 24 24 PHE CB C 36.91 0.07 1 235 24 24 PHE N N 119.49 0.04 1 236 25 25 HIS H H 8.15 0.01 1 237 25 25 HIS HA H 4.69 0.01 1 238 25 25 HIS HB2 H 3.34 0.01 2 239 25 25 HIS HB3 H 3.19 0.01 2 240 25 25 HIS HD2 H 7.16 0.04 1 241 25 25 HIS C C 174.99 0.05 1 242 25 25 HIS CA C 54.21 0.12 1 243 25 25 HIS CB C 27.59 0.21 1 244 25 25 HIS CD2 C 118.12 0.05 1 245 25 25 HIS N N 117.81 0.02 1 246 26 26 GLY H H 8.22 0.01 1 247 26 26 GLY HA2 H 4.02 0.01 2 248 26 26 GLY HA3 H 3.86 0.01 2 249 26 26 GLY C C 176.52 0.05 1 250 26 26 GLY CA C 43.51 0.12 1 251 26 26 GLY N N 108.74 0.05 1 252 27 27 TYR H H 8.09 0.01 1 253 27 27 TYR HA H 4.84 0.01 1 254 27 27 TYR HB2 H 3.13 0.01 2 255 27 27 TYR HB3 H 2.92 0.01 2 256 27 27 TYR CA C 53.88 0.04 1 257 27 27 TYR CB C 36.32 0.07 1 258 27 27 TYR N N 121.09 0.02 1 259 28 28 PRO HA H 4.51 0.01 1 260 28 28 PRO HB2 H 2.31 0.01 2 261 28 28 PRO HB3 H 2.01 0.01 2 262 28 28 PRO HG2 H 2.05 0.01 1 263 28 28 PRO HG3 H 2.05 0.01 1 264 28 28 PRO HD2 H 3.59 0.01 2 265 28 28 PRO HD3 H 3.83 0.01 2 266 28 28 PRO C C 172.60 0.05 1 267 28 28 PRO CA C 61.84 0.03 1 268 28 28 PRO CB C 29.98 0.04 1 269 28 28 PRO CG C 25.36 0.03 1 270 28 28 PRO CD C 48.71 0.03 1 271 29 29 GLY H H 8.40 0.01 1 272 29 29 GLY HA2 H 3.96 0.01 1 273 29 29 GLY HA3 H 3.96 0.01 1 274 29 29 GLY C C 175.70 0.05 1 275 29 29 GLY CA C 43.77 0.01 1 276 29 29 GLY N N 108.86 0.02 1 277 30 30 ILE H H 8.12 0.01 1 278 30 30 ILE HA H 4.20 0.01 1 279 30 30 ILE HB H 1.91 0.01 1 280 30 30 ILE HG12 H 1.54 0.01 2 281 30 30 ILE HG13 H 1.23 0.01 2 282 30 30 ILE HG2 H 0.92 0.01 1 283 30 30 ILE HD1 H 0.86 0.01 1 284 30 30 ILE C C 174.22 0.05 1 285 30 30 ILE CA C 59.53 0.04 1 286 30 30 ILE CB C 36.30 0.06 1 287 30 30 ILE CG1 C 25.76 0.06 1 288 30 30 ILE CG2 C 15.82 0.06 1 289 30 30 ILE CD1 C 11.15 0.05 1 290 30 30 ILE N N 120.63 0.05 1 291 31 31 THR H H 7.51 0.01 1 292 31 31 THR HA H 4.38 0.01 1 293 31 31 THR HB H 4.48 0.01 1 294 31 31 THR HG2 H 1.29 0.01 1 295 31 31 THR C C 175.41 0.05 1 296 31 31 THR CA C 59.93 0.03 1 297 31 31 THR CB C 68.69 0.12 1 298 31 31 THR CG2 C 20.01 0.07 1 299 31 31 THR N N 116.44 0.04 1 300 32 32 GLU H H 8.80 0.01 1 301 32 32 GLU HA H 3.93 0.01 1 302 32 32 GLU HB2 H 2.31 0.01 2 303 32 32 GLU HB3 H 2.15 0.01 2 304 32 32 GLU HG2 H 2.48 0.01 2 305 32 32 GLU HG3 H 2.37 0.01 2 306 32 32 GLU C C 172.69 0.05 1 307 32 32 GLU CA C 58.79 0.07 1 308 32 32 GLU CB C 28.21 0.09 1 309 32 32 GLU CG C 34.71 0.08 1 310 32 32 GLU N N 122.35 0.03 1 311 33 33 GLU H H 8.36 0.01 1 312 33 33 GLU HA H 4.54 0.01 1 313 33 33 GLU HB2 H 2.15 0.01 2 314 33 33 GLU HB3 H 1.83 0.01 2 315 33 33 GLU HG2 H 2.48 0.01 2 316 33 33 GLU HG3 H 2.27 0.01 2 317 33 33 GLU C C 171.41 0.05 1 318 33 33 GLU CA C 55.69 0.14 1 319 33 33 GLU CB C 26.69 0.08 1 320 33 33 GLU CG C 33.11 0.08 1 321 33 33 GLU N N 117.22 0.03 1 322 34 34 LEU H H 7.78 0.01 1 323 34 34 LEU HA H 4.12 0.01 1 324 34 34 LEU HB2 H 1.73 0.01 2 325 34 34 LEU HB3 H 1.67 0.01 2 326 34 34 LEU HG H 1.57 0.01 1 327 34 34 LEU C C 170.99 0.05 1 328 34 34 LEU CA C 56.15 0.09 1 329 34 34 LEU CB C 39.78 0.13 1 330 34 34 LEU CG C 25.21 0.04 1 331 34 34 LEU CD1 C 22.60 0.03 2 332 34 34 LEU N N 122.48 0.02 1 333 35 35 LEU H H 7.84 0.01 1 334 35 35 LEU HA H 4.01 0.01 1 335 35 35 LEU HB2 H 2.18 0.01 2 336 35 35 LEU HB3 H 1.48 0.01 2 337 35 35 LEU HG H 1.90 0.01 1 338 35 35 LEU HD1 H 0.83 0.01 1 339 35 35 LEU HD2 H 0.90 0.01 1 340 35 35 LEU C C 171.57 0.05 1 341 35 35 LEU CA C 55.87 0.05 1 342 35 35 LEU CB C 40.42 0.05 1 343 35 35 LEU CG C 24.71 0.06 1 344 35 35 LEU CD1 C 21.15 0.03 2 345 35 35 LEU CD2 C 24.09 0.06 2 346 35 35 LEU N N 117.89 0.02 1 347 36 36 ARG H H 8.31 0.01 1 348 36 36 ARG HA H 2.77 0.01 1 349 36 36 ARG HB2 H 1.54 0.01 2 350 36 36 ARG HB3 H 1.29 0.01 2 351 36 36 ARG HG2 H 0.35 0.01 2 352 36 36 ARG HG3 H 1.30 0.01 2 353 36 36 ARG HD2 H 3.68 0.01 2 354 36 36 ARG HD3 H 2.69 0.01 2 355 36 36 ARG C C 171.52 0.05 1 356 36 36 ARG CA C 58.09 0.05 1 357 36 36 ARG CB C 28.70 0.04 1 358 36 36 ARG CG C 24.52 0.05 1 359 36 36 ARG CD C 39.62 0.10 1 360 36 36 ARG N N 119.70 0.01 1 361 37 37 SER H H 8.31 0.01 1 362 37 37 SER HA H 3.78 0.01 1 363 37 37 SER HB2 H 3.96 0.01 1 364 37 37 SER HB3 H 3.96 0.01 1 365 37 37 SER C C 174.48 0.05 1 366 37 37 SER CA C 59.90 0.10 1 367 37 37 SER CB C 61.13 0.11 1 368 37 37 SER N N 110.50 0.03 1 369 38 38 GLN H H 7.72 0.01 1 370 38 38 GLN HA H 4.22 0.01 1 371 38 38 GLN HB2 H 2.13 0.01 2 372 38 38 GLN HB3 H 2.09 0.01 2 373 38 38 GLN HG2 H 2.50 0.01 2 374 38 38 GLN HG3 H 2.39 0.01 2 375 38 38 GLN HE21 H 6.72 0.01 2 376 38 38 GLN HE22 H 7.32 0.01 2 377 38 38 GLN C C 172.63 0.05 1 378 38 38 GLN CA C 55.93 0.11 1 379 38 38 GLN CB C 28.07 0.10 1 380 38 38 GLN CG C 32.31 0.05 1 381 38 38 GLN N N 116.91 0.02 1 382 38 38 GLN NE2 N 110.45 0.03 1 383 39 39 LEU H H 7.96 0.01 1 384 39 39 LEU HA H 4.47 0.01 1 385 39 39 LEU HB2 H 2.09 0.01 2 386 39 39 LEU HB3 H 1.35 0.01 2 387 39 39 LEU HG H 1.63 0.01 1 388 39 39 LEU HD1 H 0.99 0.01 1 389 39 39 LEU HD2 H 0.97 0.01 1 390 39 39 LEU C C 174.28 0.05 1 391 39 39 LEU CA C 54.03 0.07 1 392 39 39 LEU CB C 43.61 0.06 1 393 39 39 LEU CG C 25.25 0.17 1 394 39 39 LEU CD1 C 23.98 0.05 2 395 39 39 LEU CD2 C 20.80 0.07 2 396 39 39 LEU N N 116.64 0.03 1 397 40 40 TYR H H 8.20 0.01 1 398 40 40 TYR HA H 4.78 0.01 1 399 40 40 TYR HB2 H 3.23 0.01 2 400 40 40 TYR HB3 H 2.08 0.01 2 401 40 40 TYR CA C 54.53 0.12 1 402 40 40 TYR CB C 38.03 0.03 1 403 40 40 TYR N N 118.78 0.01 1 404 41 41 PRO HA H 3.99 0.01 1 405 41 41 PRO HB2 H 2.44 0.01 2 406 41 41 PRO HB3 H 1.95 0.01 2 407 41 41 PRO HG2 H 1.95 0.02 1 408 41 41 PRO HG3 H 1.95 0.02 1 409 41 41 PRO HD2 H 3.42 0.01 2 410 41 41 PRO HD3 H 3.05 0.01 2 411 41 41 PRO C C 171.31 0.05 1 412 41 41 PRO CA C 63.55 0.08 1 413 41 41 PRO CB C 29.01 0.06 1 414 41 41 PRO CG C 25.93 0.03 1 415 41 41 PRO CD C 48.20 0.04 1 416 42 42 GLU H H 9.02 0.01 1 417 42 42 GLU HA H 4.34 0.01 1 418 42 42 GLU HB2 H 2.24 0.01 2 419 42 42 GLU HB3 H 1.97 0.01 2 420 42 42 GLU HG2 H 2.33 0.01 2 421 42 42 GLU HG3 H 2.23 0.01 2 422 42 42 GLU C C 173.77 0.05 1 423 42 42 GLU CA C 54.51 0.19 1 424 42 42 GLU CB C 26.92 0.11 1 425 42 42 GLU CG C 34.40 0.03 1 426 42 42 GLU N N 117.41 0.03 1 427 43 43 VAL H H 8.12 0.01 1 428 43 43 VAL HA H 4.36 0.01 1 429 43 43 VAL HB H 2.34 0.01 1 430 43 43 VAL HG1 H 1.10 0.01 1 431 43 43 VAL HG2 H 1.08 0.01 1 432 43 43 VAL CA C 58.13 0.06 1 433 43 43 VAL CB C 30.64 0.06 1 434 43 43 VAL CG1 C 19.19 0.02 2 435 43 43 VAL CG2 C 20.77 0.03 2 436 43 43 VAL N N 125.94 0.01 1 437 44 44 PRO HA H 4.79 0.01 1 438 44 44 PRO HB2 H 2.56 0.01 2 439 44 44 PRO HB3 H 2.00 0.01 2 440 44 44 PRO HG2 H 2.11 0.01 1 441 44 44 PRO HG3 H 2.11 0.01 1 442 44 44 PRO HD2 H 4.13 0.01 2 443 44 44 PRO HD3 H 3.78 0.01 2 444 44 44 PRO CA C 59.86 0.04 1 445 44 44 PRO CB C 29.68 0.08 1 446 44 44 PRO CD C 49.09 0.03 1 447 45 45 PRO HA H 4.24 0.01 1 448 45 45 PRO HB2 H 2.56 0.01 2 449 45 45 PRO HB3 H 2.09 0.01 2 450 45 45 PRO HG2 H 2.31 0.01 2 451 45 45 PRO HG3 H 2.11 0.01 2 452 45 45 PRO HD2 H 3.94 0.01 2 453 45 45 PRO HD3 H 3.84 0.01 2 454 45 45 PRO C C 171.85 0.05 1 455 45 45 PRO CA C 64.67 0.08 1 456 45 45 PRO CB C 30.46 0.03 1 457 45 45 PRO CG C 25.81 0.18 1 458 45 45 PRO CD C 48.75 0.07 1 459 46 46 GLU H H 9.76 0.01 1 460 46 46 GLU HA H 4.19 0.01 1 461 46 46 GLU HB2 H 2.11 0.01 1 462 46 46 GLU HB3 H 2.11 0.01 1 463 46 46 GLU HG2 H 2.42 0.01 1 464 46 46 GLU HG3 H 2.42 0.01 1 465 46 46 GLU C C 172.24 0.05 1 466 46 46 GLU CA C 57.46 0.08 1 467 46 46 GLU CB C 26.59 0.07 1 468 46 46 GLU CG C 34.57 0.03 1 469 46 46 GLU N N 115.28 0.02 1 470 47 47 GLU H H 7.57 0.01 1 471 47 47 GLU HA H 4.43 0.01 1 472 47 47 GLU HB2 H 2.12 0.01 2 473 47 47 GLU HB3 H 1.98 0.01 2 474 47 47 GLU HG2 H 2.32 0.01 2 475 47 47 GLU HG3 H 2.26 0.01 2 476 47 47 GLU C C 172.27 0.05 1 477 47 47 GLU CA C 55.12 0.09 1 478 47 47 GLU CB C 28.78 0.09 1 479 47 47 GLU CG C 34.56 0.04 1 480 47 47 GLU N N 117.69 0.01 1 481 48 48 PHE H H 8.55 0.01 1 482 48 48 PHE HA H 4.23 0.01 1 483 48 48 PHE HB2 H 3.00 0.01 1 484 48 48 PHE HB3 H 3.00 0.01 1 485 48 48 PHE C C 174.38 0.05 1 486 48 48 PHE CA C 59.19 0.08 1 487 48 48 PHE CB C 37.52 0.10 1 488 48 48 PHE N N 121.60 0.01 1 489 49 49 ARG H H 8.10 0.01 1 490 49 49 ARG HA H 4.00 0.01 1 491 49 49 ARG HB2 H 2.08 0.01 2 492 49 49 ARG HB3 H 1.93 0.01 2 493 49 49 ARG HG2 H 1.65 0.01 2 494 49 49 ARG HG3 H 1.93 0.01 2 495 49 49 ARG HD2 H 3.36 0.01 2 496 49 49 ARG HD3 H 3.25 0.01 2 497 49 49 ARG CA C 60.17 0.07 1 498 49 49 ARG CB C 25.72 0.10 1 499 49 49 ARG CG C 25.60 0.10 1 500 49 49 ARG CD C 41.51 0.11 1 501 49 49 ARG N N 117.33 0.03 1 502 50 50 PRO HA H 4.45 0.01 1 503 50 50 PRO HB2 H 2.32 0.01 2 504 50 50 PRO HB3 H 1.96 0.01 2 505 50 50 PRO HG2 H 2.16 0.02 2 506 50 50 PRO HG3 H 2.10 0.01 2 507 50 50 PRO HD2 H 3.72 0.01 2 508 50 50 PRO HD3 H 3.49 0.01 2 509 50 50 PRO C C 171.16 0.05 1 510 50 50 PRO CA C 63.33 0.04 1 511 50 50 PRO CB C 28.55 0.07 1 512 50 50 PRO CG C 25.80 0.03 1 513 50 50 PRO CD C 48.53 0.05 1 514 51 51 PHE H H 6.72 0.01 1 515 51 51 PHE HA H 4.24 0.01 1 516 51 51 PHE HB2 H 3.20 0.01 2 517 51 51 PHE HB3 H 2.90 0.01 2 518 51 51 PHE C C 174.22 0.05 1 519 51 51 PHE CA C 59.00 0.07 1 520 51 51 PHE CB C 37.02 0.07 1 521 51 51 PHE N N 122.20 0.03 1 522 52 52 LEU H H 8.31 0.01 1 523 52 52 LEU HA H 3.31 0.01 1 524 52 52 LEU HB2 H 1.55 0.01 2 525 52 52 LEU HB3 H 0.63 0.01 2 526 52 52 LEU HG H 1.39 0.01 1 527 52 52 LEU HD1 H 0.94 0.01 1 528 52 52 LEU HD2 H 0.88 0.01 1 529 52 52 LEU C C 171.94 0.05 1 530 52 52 LEU CA C 55.90 0.04 1 531 52 52 LEU CB C 38.52 0.04 1 532 52 52 LEU CG C 25.00 0.04 1 533 52 52 LEU CD1 C 24.20 0.04 2 534 52 52 LEU CD2 C 23.46 0.08 2 535 52 52 LEU N N 120.85 0.01 1 536 53 53 ALA H H 7.70 0.01 1 537 53 53 ALA HA H 3.93 0.01 1 538 53 53 ALA HB H 1.42 0.01 1 539 53 53 ALA C C 174.63 0.05 1 540 53 53 ALA CA C 53.19 0.07 1 541 53 53 ALA CB C 15.92 0.05 1 542 53 53 ALA N N 118.99 0.03 1 543 54 54 LYS H H 7.85 0.01 1 544 54 54 LYS HA H 4.01 0.01 1 545 54 54 LYS HB2 H 1.93 0.01 1 546 54 54 LYS HB3 H 1.93 0.01 1 547 54 54 LYS HG2 H 1.50 0.01 2 548 54 54 LYS HG3 H 1.26 0.01 2 549 54 54 LYS HD2 H 1.69 0.01 1 550 54 54 LYS HD3 H 1.69 0.01 1 551 54 54 LYS HE2 H 2.94 0.01 1 552 54 54 LYS HE3 H 2.94 0.01 1 553 54 54 LYS C C 170.81 0.05 1 554 54 54 LYS CA C 57.10 0.09 1 555 54 54 LYS CB C 29.94 0.04 1 556 54 54 LYS CG C 21.98 0.03 1 557 54 54 LYS CD C 27.73 0.08 1 558 54 54 LYS CE C 39.45 0.16 1 559 54 54 LYS N N 120.75 0.04 1 560 55 55 MET H H 7.90 0.01 1 561 55 55 MET HA H 4.22 0.01 1 562 55 55 MET HB2 H 1.71 0.01 2 563 55 55 MET HB3 H 1.31 0.01 2 564 55 55 MET HG2 H 1.84 0.01 2 565 55 55 MET HG3 H 1.77 0.01 2 566 55 55 MET C C 172.22 0.05 1 567 55 55 MET CA C 54.68 0.06 1 568 55 55 MET CB C 29.35 0.07 1 569 55 55 MET CG C 30.58 0.16 1 570 55 55 MET N N 118.03 0.01 1 571 56 56 ARG H H 8.81 0.01 1 572 56 56 ARG HA H 3.76 0.01 1 573 56 56 ARG HB2 H 1.79 0.01 1 574 56 56 ARG HB3 H 1.79 0.01 1 575 56 56 ARG HG2 H 1.54 0.01 2 576 56 56 ARG HG3 H 1.68 0.01 2 577 56 56 ARG HD2 H 3.11 0.01 2 578 56 56 ARG HD3 H 3.17 0.01 2 579 56 56 ARG C C 171.19 0.05 1 580 56 56 ARG CA C 58.21 0.05 1 581 56 56 ARG CB C 28.50 0.07 1 582 56 56 ARG CG C 26.27 0.07 1 583 56 56 ARG CD C 41.79 0.06 1 584 56 56 ARG N N 119.34 0.02 1 585 57 57 GLY H H 7.99 0.01 1 586 57 57 GLY HA2 H 4.00 0.01 2 587 57 57 GLY HA3 H 3.88 0.02 1 588 57 57 GLY C C 173.52 0.05 1 589 57 57 GLY CA C 45.16 0.08 1 590 57 57 GLY N N 105.83 0.02 1 591 58 58 ILE H H 7.88 0.01 1 592 58 58 ILE HA H 3.88 0.01 1 593 58 58 ILE HB H 2.01 0.01 1 594 58 58 ILE HG12 H 1.80 0.01 2 595 58 58 ILE HG13 H 1.13 0.01 2 596 58 58 ILE HG2 H 0.98 0.01 1 597 58 58 ILE HD1 H 0.78 0.01 1 598 58 58 ILE C C 172.95 0.05 1 599 58 58 ILE CA C 63.32 0.06 1 600 58 58 ILE CB C 35.72 0.03 1 601 58 58 ILE CG1 C 28.07 0.03 1 602 58 58 ILE CG2 C 15.51 0.04 1 603 58 58 ILE CD1 C 11.40 0.03 1 604 58 58 ILE N N 124.08 0.01 1 605 59 59 LEU H H 8.04 0.01 1 606 59 59 LEU HA H 3.91 0.01 1 607 59 59 LEU HB2 H 1.74 0.01 2 608 59 59 LEU HB3 H 1.56 0.01 2 609 59 59 LEU HG H 1.75 0.01 1 610 59 59 LEU C C 171.70 0.05 1 611 59 59 LEU CA C 56.08 0.07 1 612 59 59 LEU CB C 39.44 0.05 1 613 59 59 LEU CG C 25.25 0.03 1 614 59 59 LEU CD1 C 22.82 0.05 2 615 59 59 LEU N N 119.23 0.03 1 616 60 60 LYS H H 8.30 0.01 1 617 60 60 LYS HA H 4.00 0.01 1 618 60 60 LYS HB2 H 1.94 0.01 1 619 60 60 LYS HB3 H 1.94 0.01 1 620 60 60 LYS HG2 H 1.41 0.01 1 621 60 60 LYS HG3 H 1.41 0.01 1 622 60 60 LYS HD2 H 1.68 0.01 1 623 60 60 LYS HD3 H 1.68 0.01 1 624 60 60 LYS HE2 H 2.95 0.01 1 625 60 60 LYS HE3 H 2.95 0.01 1 626 60 60 LYS C C 170.39 0.05 1 627 60 60 LYS CA C 57.62 0.05 1 628 60 60 LYS CB C 30.06 0.06 1 629 60 60 LYS CG C 23.26 0.07 1 630 60 60 LYS CD C 27.25 0.04 1 631 60 60 LYS CE C 39.94 0.12 1 632 60 60 LYS N N 117.79 0.02 1 633 61 61 SER H H 8.07 0.01 1 634 61 61 SER HA H 3.98 0.01 1 635 61 61 SER HB2 H 3.37 0.01 1 636 61 61 SER HB3 H 3.37 0.01 1 637 61 61 SER C C 174.24 0.05 1 638 61 61 SER CA C 61.04 0.19 1 639 61 61 SER CB C 61.37 0.10 1 640 61 61 SER N N 117.68 0.01 1 641 62 62 ILE H H 7.62 0.01 1 642 62 62 ILE HA H 3.22 0.01 1 643 62 62 ILE HB H 1.22 0.01 1 644 62 62 ILE HG12 H 1.45 0.01 2 645 62 62 ILE HG13 H 0.77 0.01 2 646 62 62 ILE HG2 H -0.50 0.01 1 647 62 62 ILE HD1 H 0.56 0.01 1 648 62 62 ILE C C 172.90 0.05 1 649 62 62 ILE CA C 62.74 0.07 1 650 62 62 ILE CB C 36.69 0.06 1 651 62 62 ILE CG1 C 25.39 0.07 1 652 62 62 ILE CG2 C 13.19 0.03 1 653 62 62 ILE CD1 C 12.76 0.07 1 654 62 62 ILE N N 121.04 0.01 1 655 63 63 ALA H H 8.19 0.01 1 656 63 63 ALA HA H 4.22 0.01 1 657 63 63 ALA HB H 1.46 0.01 1 658 63 63 ALA C C 178.79 0.05 1 659 63 63 ALA CA C 52.57 0.05 1 660 63 63 ALA CB C 16.79 0.07 1 661 63 63 ALA N N 119.71 0.03 1 662 64 64 SER H H 8.45 0.01 1 663 64 64 SER HA H 4.24 0.01 1 664 64 64 SER HB2 H 3.96 0.01 1 665 64 64 SER HB3 H 3.96 0.01 1 666 64 64 SER C C 174.87 0.05 1 667 64 64 SER CA C 59.23 0.11 1 668 64 64 SER CB C 61.06 0.13 1 669 64 64 SER N N 113.93 0.01 1 670 65 65 ALA H H 6.93 0.01 1 671 65 65 ALA HA H 4.40 0.01 1 672 65 65 ALA HB H 1.32 0.01 1 673 65 65 ALA C C 173.82 0.05 1 674 65 65 ALA CA C 49.87 0.07 1 675 65 65 ALA CB C 17.88 0.07 1 676 65 65 ALA N N 121.72 0.03 1 677 66 66 ASP H H 7.94 0.01 1 678 66 66 ASP HA H 4.56 0.01 1 679 66 66 ASP HB2 H 3.15 0.01 2 680 66 66 ASP HB3 H 2.43 0.01 2 681 66 66 ASP C C 174.27 0.05 1 682 66 66 ASP CA C 52.44 0.07 1 683 66 66 ASP CB C 37.41 0.06 1 684 66 66 ASP N N 120.41 0.01 1 685 67 67 MET H H 7.19 0.01 1 686 67 67 MET HA H 4.11 0.01 1 687 67 67 MET HB2 H 2.05 0.01 2 688 67 67 MET HB3 H 1.58 0.01 2 689 67 67 MET HG2 H 2.65 0.01 2 690 67 67 MET HG3 H 2.30 0.01 2 691 67 67 MET C C 172.58 0.05 1 692 67 67 MET CA C 56.91 0.05 1 693 67 67 MET CB C 31.55 0.08 1 694 67 67 MET CG C 32.27 0.08 1 695 67 67 MET N N 115.22 0.02 1 696 68 68 ASP H H 8.52 0.01 1 697 68 68 ASP HA H 4.73 0.01 1 698 68 68 ASP HB2 H 3.24 0.01 2 699 68 68 ASP HB3 H 2.83 0.01 2 700 68 68 ASP C C 173.72 0.05 1 701 68 68 ASP CA C 50.55 0.04 1 702 68 68 ASP CB C 38.48 0.05 1 703 68 68 ASP N N 121.95 0.02 1 704 69 69 PHE H H 8.45 0.01 1 705 69 69 PHE HA H 4.55 0.01 1 706 69 69 PHE HB2 H 3.40 0.01 2 707 69 69 PHE HB3 H 3.27 0.01 2 708 69 69 PHE C C 171.90 0.05 1 709 69 69 PHE CA C 58.14 0.06 1 710 69 69 PHE CB C 35.17 0.05 1 711 69 69 PHE N N 116.31 0.02 1 712 70 70 ASN H H 8.41 0.01 1 713 70 70 ASN HA H 4.65 0.01 1 714 70 70 ASN HB2 H 3.04 0.01 2 715 70 70 ASN HB3 H 2.89 0.01 2 716 70 70 ASN HD21 H 7.05 0.01 2 717 70 70 ASN HD22 H 7.88 0.01 2 718 70 70 ASN C C 171.77 0.05 1 719 70 70 ASN CA C 54.38 0.06 1 720 70 70 ASN CB C 36.15 0.07 1 721 70 70 ASN N N 120.15 0.02 1 722 70 70 ASN ND2 N 113.89 0.03 1 723 71 71 GLN H H 9.09 0.01 1 724 71 71 GLN HA H 4.10 0.01 1 725 71 71 GLN HB2 H 2.27 0.01 2 726 71 71 GLN HB3 H 1.99 0.01 2 727 71 71 GLN HG2 H 2.74 0.01 2 728 71 71 GLN HG3 H 2.48 0.01 2 729 71 71 GLN HE21 H 6.90 0.01 2 730 71 71 GLN HE22 H 7.52 0.01 2 731 71 71 GLN C C 171.26 0.05 1 732 71 71 GLN CA C 56.81 0.07 1 733 71 71 GLN CB C 26.78 0.05 1 734 71 71 GLN CG C 32.19 0.06 1 735 71 71 GLN N N 123.33 0.02 1 736 71 71 GLN NE2 N 111.19 0.03 1 737 72 72 LEU H H 8.82 0.01 1 738 72 72 LEU HA H 4.30 0.01 1 739 72 72 LEU HB2 H 2.18 0.01 2 740 72 72 LEU HB3 H 1.47 0.01 2 741 72 72 LEU HG H 1.22 0.01 1 742 72 72 LEU HD1 H 1.68 0.01 1 743 72 72 LEU HD2 H 0.89 0.01 1 744 72 72 LEU C C 172.36 0.05 1 745 72 72 LEU CA C 56.14 0.06 1 746 72 72 LEU CB C 40.57 0.10 1 747 72 72 LEU CG C 25.66 0.04 1 748 72 72 LEU CD1 C 24.84 0.10 2 749 72 72 LEU CD2 C 22.35 0.04 2 750 72 72 LEU N N 121.05 0.01 1 751 73 73 GLU H H 7.79 0.01 1 752 73 73 GLU HA H 4.12 0.01 1 753 73 73 GLU HB2 H 2.18 0.01 1 754 73 73 GLU HB3 H 2.18 0.01 1 755 73 73 GLU HG2 H 2.33 0.01 1 756 73 73 GLU HG3 H 2.33 0.01 1 757 73 73 GLU C C 170.72 0.05 1 758 73 73 GLU CA C 57.63 0.06 1 759 73 73 GLU CB C 27.25 0.08 1 760 73 73 GLU CG C 33.95 0.07 1 761 73 73 GLU N N 118.27 0.02 1 762 74 74 ALA H H 7.82 0.01 1 763 74 74 ALA HA H 4.20 0.01 1 764 74 74 ALA HB H 1.59 0.01 1 765 74 74 ALA C C 169.53 0.05 1 766 74 74 ALA CA C 53.41 0.07 1 767 74 74 ALA CB C 16.09 0.09 1 768 74 74 ALA N N 122.42 0.02 1 769 75 75 PHE H H 8.62 0.01 1 770 75 75 PHE HA H 4.46 0.01 1 771 75 75 PHE HB2 H 3.32 0.01 2 772 75 75 PHE HB3 H 3.19 0.01 2 773 75 75 PHE HZ H 7.27 0.01 1 774 75 75 PHE C C 172.39 0.05 1 775 75 75 PHE CA C 58.91 0.06 1 776 75 75 PHE CB C 37.83 0.18 1 777 75 75 PHE CZ C 129.05 0.05 1 778 75 75 PHE N N 121.45 0.02 1 779 76 76 LEU H H 9.09 0.01 1 780 76 76 LEU HA H 3.71 0.01 1 781 76 76 LEU HB2 H 1.29 0.01 2 782 76 76 LEU HB3 H 2.13 0.01 2 783 76 76 LEU HG H 2.11 0.01 1 784 76 76 LEU HD1 H 0.81 0.01 1 785 76 76 LEU HD2 H 1.03 0.01 1 786 76 76 LEU C C 170.31 0.05 1 787 76 76 LEU CA C 55.94 0.05 1 788 76 76 LEU CB C 39.25 0.04 1 789 76 76 LEU CG C 24.95 0.07 1 790 76 76 LEU CD1 C 20.20 0.04 2 791 76 76 LEU CD2 C 24.27 0.07 2 792 76 76 LEU N N 119.19 0.01 1 793 77 77 THR H H 8.55 0.01 1 794 77 77 THR HA H 3.87 0.01 1 795 77 77 THR HB H 4.30 0.01 1 796 77 77 THR HG2 H 1.22 0.02 1 797 77 77 THR C C 172.91 0.05 1 798 77 77 THR CA C 65.37 0.16 1 799 77 77 THR CB C 66.34 0.16 1 800 77 77 THR CG2 C 19.32 0.16 1 801 77 77 THR N N 117.42 0.03 1 802 78 78 ALA H H 7.76 0.01 1 803 78 78 ALA HA H 4.09 0.01 1 804 78 78 ALA HB H 1.51 0.01 1 805 78 78 ALA C C 169.20 0.05 1 806 78 78 ALA CA C 53.63 0.09 1 807 78 78 ALA CB C 15.46 0.06 1 808 78 78 ALA N N 124.74 0.02 1 809 79 79 GLN H H 7.88 0.01 1 810 79 79 GLN HA H 3.83 0.01 1 811 79 79 GLN HB2 H 2.15 0.01 2 812 79 79 GLN HB3 H 1.85 0.01 2 813 79 79 GLN HG2 H 1.91 0.01 2 814 79 79 GLN HG3 H 1.37 0.01 2 815 79 79 GLN HE21 H 6.17 0.01 2 816 79 79 GLN HE22 H 6.88 0.01 2 817 79 79 GLN C C 172.37 0.05 1 818 79 79 GLN CA C 55.45 0.07 1 819 79 79 GLN CB C 25.82 0.05 1 820 79 79 GLN CG C 31.09 0.04 1 821 79 79 GLN N N 115.60 0.01 1 822 79 79 GLN NE2 N 114.35 0.03 1 823 80 80 THR H H 7.79 0.01 1 824 80 80 THR HA H 4.98 0.01 1 825 80 80 THR HB H 4.30 0.01 1 826 80 80 THR HG2 H 1.21 0.02 1 827 80 80 THR C C 174.47 0.05 1 828 80 80 THR CA C 61.25 0.07 1 829 80 80 THR CB C 67.95 0.10 1 830 80 80 THR CG2 C 19.40 0.12 1 831 80 80 THR N N 112.43 0.01 1 832 81 81 LYS H H 7.29 0.01 1 833 81 81 LYS HA H 4.33 0.01 1 834 81 81 LYS HB2 H 2.00 0.01 2 835 81 81 LYS HB3 H 1.73 0.01 2 836 81 81 LYS HG2 H 1.55 0.01 2 837 81 81 LYS HG3 H 1.45 0.02 2 838 81 81 LYS HD2 H 1.71 0.01 1 839 81 81 LYS HD3 H 1.71 0.01 1 840 81 81 LYS HE2 H 2.93 0.01 1 841 81 81 LYS HE3 H 2.93 0.01 1 842 81 81 LYS C C 173.55 0.05 1 843 81 81 LYS CA C 54.40 0.05 1 844 81 81 LYS CB C 31.16 0.06 1 845 81 81 LYS CG C 23.15 0.10 1 846 81 81 LYS CD C 27.02 0.05 1 847 81 81 LYS CE C 40.21 0.06 1 848 81 81 LYS N N 119.52 0.01 1 849 82 82 LYS H H 7.03 0.01 1 850 82 82 LYS HA H 4.31 0.01 1 851 82 82 LYS HB2 H 1.75 0.01 2 852 82 82 LYS HB3 H 1.60 0.01 2 853 82 82 LYS HG2 H 1.46 0.01 2 854 82 82 LYS HG3 H 1.31 0.01 2 855 82 82 LYS HD2 H 1.64 0.01 1 856 82 82 LYS HD3 H 1.64 0.01 1 857 82 82 LYS HE2 H 2.92 0.01 1 858 82 82 LYS HE3 H 2.92 0.01 1 859 82 82 LYS C C 173.80 0.05 1 860 82 82 LYS CA C 53.47 0.10 1 861 82 82 LYS CB C 31.74 0.05 1 862 82 82 LYS CG C 21.85 0.08 1 863 82 82 LYS CD C 27.18 0.09 1 864 82 82 LYS CE C 40.01 0.14 1 865 82 82 LYS N N 118.56 0.01 1 866 83 83 GLN H H 8.76 0.01 1 867 83 83 GLN HA H 4.21 0.01 1 868 83 83 GLN HB2 H 2.05 0.01 1 869 83 83 GLN HB3 H 2.05 0.01 1 870 83 83 GLN HG2 H 2.43 0.01 1 871 83 83 GLN HG3 H 2.43 0.01 1 872 83 83 GLN HE21 H 6.91 0.01 2 873 83 83 GLN HE22 H 7.60 0.01 2 874 83 83 GLN C C 172.54 0.05 1 875 83 83 GLN CA C 55.17 0.08 1 876 83 83 GLN CB C 26.14 0.09 1 877 83 83 GLN CG C 31.79 0.05 1 878 83 83 GLN N N 125.15 0.01 1 879 83 83 GLN NE2 N 112.50 0.03 1 880 84 84 GLY H H 9.18 0.01 1 881 84 84 GLY HA2 H 3.89 0.01 2 882 84 84 GLY HA3 H 4.03 0.01 2 883 84 84 GLY C C 174.80 0.05 1 884 84 84 GLY CA C 44.05 0.10 1 885 84 84 GLY N N 115.42 0.01 1 886 85 85 GLY H H 7.71 0.01 1 887 85 85 GLY HA2 H 4.29 0.01 2 888 85 85 GLY HA3 H 4.05 0.01 2 889 85 85 GLY C C 175.67 0.05 1 890 85 85 GLY CA C 42.62 0.09 1 891 85 85 GLY N N 108.38 0.01 1 892 86 86 ILE H H 7.33 0.01 1 893 86 86 ILE HA H 4.89 0.01 1 894 86 86 ILE HB H 2.30 0.01 1 895 86 86 ILE HG12 H 0.68 0.01 2 896 86 86 ILE HG13 H 1.34 0.01 2 897 86 86 ILE HG2 H 0.76 0.01 1 898 86 86 ILE HD1 H 0.69 0.01 1 899 86 86 ILE C C 174.82 0.05 1 900 86 86 ILE CA C 57.71 0.08 1 901 86 86 ILE CB C 38.29 0.03 1 902 86 86 ILE CG1 C 22.63 0.06 1 903 86 86 ILE CG2 C 16.16 0.04 1 904 86 86 ILE CD1 C 12.62 0.02 1 905 86 86 ILE N N 113.74 0.01 1 906 87 87 THR H H 8.28 0.01 1 907 87 87 THR HA H 4.77 0.01 1 908 87 87 THR HB H 4.84 0.01 1 909 87 87 THR HG2 H 1.31 0.01 1 910 87 87 THR C C 173.55 0.05 1 911 87 87 THR CA C 58.02 0.08 1 912 87 87 THR CB C 69.40 0.11 1 913 87 87 THR CG2 C 19.91 0.09 1 914 87 87 THR N N 109.53 0.02 1 915 88 88 SER H H 9.32 0.01 1 916 88 88 SER HA H 4.18 0.01 1 917 88 88 SER HB2 H 4.02 0.01 1 918 88 88 SER HB3 H 4.02 0.01 1 919 88 88 SER C C 172.63 0.05 1 920 88 88 SER CA C 60.25 0.10 1 921 88 88 SER N N 116.94 0.01 1 922 89 89 ASP H H 8.46 0.01 1 923 89 89 ASP HA H 4.56 0.01 1 924 89 89 ASP HB2 H 2.71 0.01 1 925 89 89 ASP HB3 H 2.71 0.01 1 926 89 89 ASP C C 171.22 0.05 1 927 89 89 ASP CA C 55.37 0.06 1 928 89 89 ASP CB C 38.69 0.05 1 929 89 89 ASP N N 121.94 0.02 1 930 90 90 GLN H H 7.72 0.01 1 931 90 90 GLN HA H 3.94 0.01 1 932 90 90 GLN HB2 H 2.62 0.01 2 933 90 90 GLN HB3 H 1.61 0.01 2 934 90 90 GLN HG2 H 2.65 0.01 2 935 90 90 GLN HG3 H 2.49 0.01 2 936 90 90 GLN HE21 H 6.90 0.01 2 937 90 90 GLN HE22 H 7.64 0.01 2 938 90 90 GLN C C 171.75 0.05 1 939 90 90 GLN CA C 56.91 0.07 1 940 90 90 GLN CB C 25.77 0.06 1 941 90 90 GLN CG C 32.54 0.09 1 942 90 90 GLN N N 119.31 0.03 1 943 90 90 GLN NE2 N 108.86 0.03 1 944 91 91 ALA H H 8.70 0.01 1 945 91 91 ALA HA H 3.87 0.01 1 946 91 91 ALA HB H 1.48 0.01 1 947 91 91 ALA C C 171.47 0.05 1 948 91 91 ALA CA C 53.65 0.07 1 949 91 91 ALA CB C 16.10 0.06 1 950 91 91 ALA N N 121.02 0.01 1 951 92 92 ALA H H 7.85 0.01 1 952 92 92 ALA HA H 4.25 0.01 1 953 92 92 ALA HB H 1.65 0.01 1 954 92 92 ALA C C 169.43 0.05 1 955 92 92 ALA CA C 53.24 0.08 1 956 92 92 ALA CB C 16.14 0.07 1 957 92 92 ALA N N 119.70 0.01 1 958 93 93 VAL H H 7.59 0.01 1 959 93 93 VAL HA H 3.75 0.01 1 960 93 93 VAL HB H 2.37 0.01 1 961 93 93 VAL HG1 H 1.03 0.01 1 962 93 93 VAL HG2 H 1.28 0.01 1 963 93 93 VAL C C 171.23 0.05 1 964 93 93 VAL CA C 64.58 0.08 1 965 93 93 VAL CB C 30.19 0.05 1 966 93 93 VAL CG1 C 19.66 0.01 2 967 93 93 VAL CG2 C 21.10 0.06 2 968 93 93 VAL N N 119.61 0.02 1 969 94 94 ILE H H 8.44 0.01 1 970 94 94 ILE HA H 3.70 0.01 1 971 94 94 ILE HB H 1.90 0.01 1 972 94 94 ILE HG12 H 0.92 0.01 2 973 94 94 ILE HG13 H 1.98 0.01 2 974 94 94 ILE HG2 H 0.95 0.01 1 975 94 94 ILE HD1 H 0.82 0.01 1 976 94 94 ILE C C 172.93 0.05 1 977 94 94 ILE CA C 64.06 0.08 1 978 94 94 ILE CB C 36.09 0.06 1 979 94 94 ILE CG1 C 27.92 0.04 1 980 94 94 ILE CG2 C 16.89 0.05 1 981 94 94 ILE CD1 C 12.55 0.02 1 982 94 94 ILE N N 121.76 0.01 1 983 95 95 SER H H 8.68 0.01 1 984 95 95 SER HA H 4.24 0.01 1 985 95 95 SER HB2 H 4.05 0.01 1 986 95 95 SER HB3 H 4.05 0.01 1 987 95 95 SER C C 173.57 0.05 1 988 95 95 SER CA C 59.86 0.07 1 989 95 95 SER CB C 60.84 0.09 1 990 95 95 SER N N 114.43 0.02 1 991 96 96 LYS H H 7.84 0.01 1 992 96 96 LYS HA H 4.03 0.01 1 993 96 96 LYS HB2 H 2.05 0.01 1 994 96 96 LYS HB3 H 2.05 0.01 1 995 96 96 LYS HG2 H 1.68 0.01 2 996 96 96 LYS HG3 H 1.55 0.01 2 997 96 96 LYS HD2 H 1.78 0.01 1 998 96 96 LYS HD3 H 1.78 0.01 1 999 96 96 LYS HE2 H 3.05 0.01 1 1000 96 96 LYS HE3 H 3.05 0.01 1 1001 96 96 LYS C C 170.74 0.05 1 1002 96 96 LYS CA C 57.80 0.07 1 1003 96 96 LYS CB C 30.62 0.06 1 1004 96 96 LYS CG C 23.38 0.05 1 1005 96 96 LYS CD C 27.37 0.13 1 1006 96 96 LYS CE C 40.20 0.12 1 1007 96 96 LYS N N 119.02 0.01 1 1008 97 97 PHE H H 8.58 0.01 1 1009 97 97 PHE HA H 4.37 0.01 1 1010 97 97 PHE HB2 H 3.53 0.01 2 1011 97 97 PHE HB3 H 3.40 0.01 2 1012 97 97 PHE C C 172.46 0.05 1 1013 97 97 PHE CA C 59.48 0.05 1 1014 97 97 PHE CB C 37.44 0.04 1 1015 97 97 PHE N N 120.91 0.02 1 1016 98 98 TRP H H 9.17 0.01 1 1017 98 98 TRP HA H 4.36 0.01 1 1018 98 98 TRP HB2 H 3.42 0.01 1 1019 98 98 TRP HB3 H 3.42 0.01 1 1020 98 98 TRP HD1 H 7.05 0.01 1 1021 98 98 TRP HE3 H 7.41 0.01 1 1022 98 98 TRP HZ2 H 7.66 0.01 1 1023 98 98 TRP HZ3 H 7.32 0.01 1 1024 98 98 TRP C C 172.47 0.05 1 1025 98 98 TRP CA C 58.04 0.03 1 1026 98 98 TRP CB C 28.15 0.05 1 1027 98 98 TRP CD1 C 123.95 0.05 1 1028 98 98 TRP CE3 C 117.97 0.05 1 1029 98 98 TRP CZ2 C 113.25 0.05 1 1030 98 98 TRP CZ3 C 122.55 0.05 1 1031 98 98 TRP N N 122.54 0.02 1 1032 99 99 LYS H H 8.46 0.01 1 1033 99 99 LYS HA H 3.85 0.01 1 1034 99 99 LYS HB2 H 1.79 0.01 2 1035 99 99 LYS HB3 H 1.70 0.01 2 1036 99 99 LYS HG2 H 1.46 0.01 2 1037 99 99 LYS HG3 H 0.54 0.01 2 1038 99 99 LYS HD2 H 1.39 0.01 2 1039 99 99 LYS HD3 H 1.35 0.01 2 1040 99 99 LYS HE2 H 2.66 0.01 2 1041 99 99 LYS HE3 H 2.52 0.01 2 1042 99 99 LYS C C 171.06 0.05 1 1043 99 99 LYS CA C 58.13 0.07 1 1044 99 99 LYS CB C 30.28 0.06 1 1045 99 99 LYS CG C 23.55 0.05 1 1046 99 99 LYS CD C 27.52 0.07 1 1047 99 99 LYS CE C 40.00 0.16 1 1048 99 99 LYS N N 116.68 0.02 1 1049 100 100 SER H H 7.76 0.01 1 1050 100 100 SER HA H 4.27 0.01 1 1051 100 100 SER HB2 H 3.88 0.01 1 1052 100 100 SER HB3 H 3.88 0.01 1 1053 100 100 SER C C 169.38 0.05 1 1054 100 100 SER CA C 58.49 0.06 1 1055 100 100 SER CB C 61.48 0.05 1 1056 100 100 SER N N 112.64 0.06 1 1057 101 101 HIS H H 7.87 0.01 1 1058 101 101 HIS HA H 4.18 0.02 1 1059 101 101 HIS HB2 H 2.71 0.04 2 1060 101 101 HIS HB3 H 2.31 0.01 2 1061 101 101 HIS HD2 H 6.17 0.01 1 1062 101 101 HIS C C 174.63 0.05 1 1063 101 101 HIS CA C 56.11 0.19 1 1064 101 101 HIS CB C 27.28 0.24 1 1065 101 101 HIS CD2 C 117.79 0.05 1 1066 101 101 HIS N N 120.77 0.07 1 1067 102 102 LYS H H 7.81 0.01 1 1068 102 102 LYS HA H 3.48 0.02 1 1069 102 102 LYS HB2 H 1.52 0.01 2 1070 102 102 LYS HB3 H 1.28 0.03 2 1071 102 102 LYS HG2 H 0.88 0.01 2 1072 102 102 LYS HG3 H 1.07 0.01 2 1073 102 102 LYS HD2 H 1.44 0.01 1 1074 102 102 LYS HD3 H 1.44 0.01 1 1075 102 102 LYS HE2 H 2.87 0.01 1 1076 102 102 LYS HE3 H 2.90 0.01 2 1077 102 102 LYS C C 172.94 0.05 1 1078 102 102 LYS CA C 54.93 0.04 1 1079 102 102 LYS CB C 29.68 0.07 1 1080 102 102 LYS CG C 22.01 0.03 1 1081 102 102 LYS CD C 26.45 0.04 1 1082 102 102 LYS CE C 39.86 0.10 1 1083 102 102 LYS N N 118.82 0.08 1 1084 103 103 THR H H 7.68 0.01 1 1085 103 103 THR HA H 4.18 0.01 1 1086 103 103 THR HB H 4.23 0.01 1 1087 103 103 THR HG2 H 1.23 0.01 1 1088 103 103 THR C C 175.63 0.05 1 1089 103 103 THR CA C 61.20 0.09 1 1090 103 103 THR CB C 67.49 0.10 1 1091 103 103 THR CG2 C 19.57 0.06 1 1092 103 103 THR N N 113.00 0.07 1 1093 104 104 LYS H H 7.87 0.01 1 1094 104 104 LYS HA H 4.26 0.01 1 1095 104 104 LYS HB2 H 1.82 0.02 2 1096 104 104 LYS HB3 H 1.76 0.01 2 1097 104 104 LYS HG2 H 1.40 0.01 1 1098 104 104 LYS HG3 H 1.40 0.01 1 1099 104 104 LYS HD2 H 1.64 0.01 1 1100 104 104 LYS HD3 H 1.64 0.01 1 1101 104 104 LYS HE2 H 2.95 0.01 1 1102 104 104 LYS HE3 H 2.95 0.01 1 1103 104 104 LYS C C 173.34 0.05 1 1104 104 104 LYS CA C 54.79 0.09 1 1105 104 104 LYS CB C 30.67 0.07 1 1106 104 104 LYS CG C 22.86 0.05 1 1107 104 104 LYS CD C 27.06 0.06 1 1108 104 104 LYS CE C 40.19 0.05 1 1109 104 104 LYS N N 122.77 0.03 1 1110 105 105 ILE H H 7.95 0.01 1 1111 105 105 ILE HA H 4.10 0.01 1 1112 105 105 ILE HB H 1.85 0.01 1 1113 105 105 ILE HG12 H 1.18 0.01 2 1114 105 105 ILE HG13 H 1.46 0.01 2 1115 105 105 ILE HG2 H 0.88 0.01 1 1116 105 105 ILE HD1 H 0.83 0.01 1 1117 105 105 ILE C C 174.03 0.05 1 1118 105 105 ILE CA C 59.63 0.06 1 1119 105 105 ILE CB C 36.46 0.03 1 1120 105 105 ILE CG1 C 25.48 0.03 1 1121 105 105 ILE CG2 C 15.48 0.03 1 1122 105 105 ILE CD1 C 11.11 0.04 1 1123 105 105 ILE N N 121.02 0.03 1 1124 106 106 ARG H H 8.21 0.01 1 1125 106 106 ARG HA H 4.37 0.01 1 1126 106 106 ARG HB2 H 1.82 0.01 2 1127 106 106 ARG HB3 H 1.90 0.01 2 1128 106 106 ARG HG2 H 1.66 0.01 1 1129 106 106 ARG HG3 H 1.66 0.01 1 1130 106 106 ARG HD2 H 3.22 0.01 1 1131 106 106 ARG HD3 H 3.22 0.01 1 1132 106 106 ARG C C 174.10 0.05 1 1133 106 106 ARG CA C 54.19 0.10 1 1134 106 106 ARG CB C 29.00 0.07 1 1135 106 106 ARG CG C 25.23 0.03 1 1136 106 106 ARG CD C 41.43 0.07 1 1137 106 106 ARG N N 124.13 0.01 1 1138 107 107 GLU H H 8.43 0.01 1 1139 107 107 GLU HA H 4.36 0.01 1 1140 107 107 GLU HB2 H 2.14 0.01 2 1141 107 107 GLU HB3 H 1.99 0.01 2 1142 107 107 GLU HG2 H 2.31 0.01 1 1143 107 107 GLU HG3 H 2.31 0.01 1 1144 107 107 GLU C C 174.56 0.05 1 1145 107 107 GLU CA C 54.73 0.09 1 1146 107 107 GLU CB C 28.53 0.09 1 1147 107 107 GLU CG C 34.43 0.03 1 1148 107 107 GLU N N 122.69 0.01 1 1149 108 108 SER H H 7.95 0.01 1 1150 108 108 SER HA H 4.28 0.01 1 1151 108 108 SER HB2 H 3.88 0.01 1 1152 108 108 SER HB3 H 3.88 0.01 1 1153 108 108 SER CA C 58.05 0.05 1 1154 108 108 SER CB C 62.96 0.14 1 1155 108 108 SER N N 121.96 0.01 1 stop_ save_