data_4335 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Assignments, Secondary Structure and Global Fold of Calerythrin, an EF-hand Calcium-binding Protein from Saccharopolyspora erythraea. ; _BMRB_accession_number 4335 _BMRB_flat_file_name bmr4335.str _Entry_type original _Submission_date 1999-04-21 _Accession_date 1999-04-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aitio Helena . . 2 Annila Arto . . 3 Heikkinen Sami . . 4 Thulin Eva . . 5 Drakenberg Torbjorn . . 6 Kilpelainen Ilkka . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 815 "13C chemical shifts" 627 "15N chemical shifts" 181 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-12-22 original author . stop_ _Original_release_date 1999-12-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Assignments, Secondary Structure and Global Fold of Calerythrin, an EF-hand Calcium-binding Protein from Saccharopolyspora erythraea. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aitio Helena . . 2 Annila Arto . . 3 Heikkinen Sami . . 4 Thulin Eva . . 5 Drakenberg Torbjorn . . 6 Kilpelainen Ilkka . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 8 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2580 _Page_last 2588 _Year 1999 _Details . loop_ _Keyword 'calcium-binding protein' calerythrin EF-hand 'secondary structure' stop_ save_ ################################## # Molecular system description # ################################## save_system_calerythin _Saveframe_category molecular_system _Mol_system_name calerythrin _Abbreviation_common calerythrin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label calerythrin $calerythrin Ca $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'fully reduced' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_calerythrin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common calerythrin _Abbreviation_common calerythrin _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; TTAIASDRLKKRFDRWDFDG NGALERADFEKEAQHIAEAF GKDAGAAEVQTLKNAFGGLF DYLAKEAGVGSDGSLTEEQF IRVTENLIFEQGEASFNRVL GPVVKGIVGMCDKNADGQIN ADEFAAWLTALGMSKAEAAE AFNQVDTNGNGELSLDELLT AVRDFHFGRLDVELLG ; loop_ _Residue_seq_code _Residue_label 1 THR 2 THR 3 ALA 4 ILE 5 ALA 6 SER 7 ASP 8 ARG 9 LEU 10 LYS 11 LYS 12 ARG 13 PHE 14 ASP 15 ARG 16 TRP 17 ASP 18 PHE 19 ASP 20 GLY 21 ASN 22 GLY 23 ALA 24 LEU 25 GLU 26 ARG 27 ALA 28 ASP 29 PHE 30 GLU 31 LYS 32 GLU 33 ALA 34 GLN 35 HIS 36 ILE 37 ALA 38 GLU 39 ALA 40 PHE 41 GLY 42 LYS 43 ASP 44 ALA 45 GLY 46 ALA 47 ALA 48 GLU 49 VAL 50 GLN 51 THR 52 LEU 53 LYS 54 ASN 55 ALA 56 PHE 57 GLY 58 GLY 59 LEU 60 PHE 61 ASP 62 TYR 63 LEU 64 ALA 65 LYS 66 GLU 67 ALA 68 GLY 69 VAL 70 GLY 71 SER 72 ASP 73 GLY 74 SER 75 LEU 76 THR 77 GLU 78 GLU 79 GLN 80 PHE 81 ILE 82 ARG 83 VAL 84 THR 85 GLU 86 ASN 87 LEU 88 ILE 89 PHE 90 GLU 91 GLN 92 GLY 93 GLU 94 ALA 95 SER 96 PHE 97 ASN 98 ARG 99 VAL 100 LEU 101 GLY 102 PRO 103 VAL 104 VAL 105 LYS 106 GLY 107 ILE 108 VAL 109 GLY 110 MET 111 CYS 112 ASP 113 LYS 114 ASN 115 ALA 116 ASP 117 GLY 118 GLN 119 ILE 120 ASN 121 ALA 122 ASP 123 GLU 124 PHE 125 ALA 126 ALA 127 TRP 128 LEU 129 THR 130 ALA 131 LEU 132 GLY 133 MET 134 SER 135 LYS 136 ALA 137 GLU 138 ALA 139 ALA 140 GLU 141 ALA 142 PHE 143 ASN 144 GLN 145 VAL 146 ASP 147 THR 148 ASN 149 GLY 150 ASN 151 GLY 152 GLU 153 LEU 154 SER 155 LEU 156 ASP 157 GLU 158 LEU 159 LEU 160 THR 161 ALA 162 VAL 163 ARG 164 ASP 165 PHE 166 HIS 167 PHE 168 GLY 169 ARG 170 LEU 171 ASP 172 VAL 173 GLU 174 LEU 175 LEU 176 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 1NYA "Nmr Solution Structure Of Calerythrin, An Ef-hand Calcium- Binding Protein" 100.00 176 100.00 100.00 1.79e-120 EMBL CAM02479 "calcium binding protein [Saccharopolyspora erythraea NRRL 2338]" 100.00 177 100.00 100.00 1.24e-120 GB AAA26481 "calcium binding protein [Saccharopolyspora erythraea]" 100.00 177 98.86 98.86 1.49e-118 GB EQD82838 "Calerythrin [Saccharopolyspora erythraea D]" 100.00 177 100.00 100.00 1.24e-120 PRF 1311341A "Ca binding protein [Saccharopolyspora erythraea]" 100.00 177 98.86 98.86 1.49e-118 REF WP_009945618 "calcium-binding protein [Saccharopolyspora erythraea]" 100.00 177 100.00 100.00 1.24e-120 SP P06495 "RecName: Full=Calerythrin; AltName: Full=Calcium-binding protein" 100.00 177 98.86 98.86 1.49e-118 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'CALCIUM ION' _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $calerythrin 'Streptomyces erythraeus' 1836 Eubacteria . Saccharopolyspora erythraea 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 $calerythrin 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $calerythrin 1.0 mM '[U-13C; U-15N]' CaCl2 4 mM . DTT 10 mM . H2O 97 % . D2O 3 % . stop_ save_ ############################ # Computer software used # ############################ save_software_one _Saveframe_category software _Name FELIX _Version 97.0 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ save_NMR_spectrometer_two _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_one save_ save_HN(CO)CACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _Sample_label $sample_one save_ save_CC(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _Sample_label $sample_one save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_one save_ save_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_one save_ save_[15N]-edited_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '[15N]-edited NOESY' _Sample_label $sample_one save_ save_[15N,15N]-edited_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '[15N,15N]-edited NOESY' _Sample_label $sample_one save_ save_[15N,13C]-edited_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '[15N,13C]-edited NOESY' _Sample_label $sample_one save_ save_[15N]-edited_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '[15N]-edited TOCSY' _Sample_label $sample_one save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '[15N]-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '[15N,15N]-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '[15N,13C]-edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '[15N]-edited TOCSY' _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 pH 6.0 0.1 na temperature 318 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label H2O C 13 protons ppm 4.55 internal indirect cylindrical internal parallel_to_Bo 0.25144954 $entry_citation $entry_citation H2O H 1 protons ppm 4.55 internal direct cylindrical internal parallel_to_Bo . $entry_citation $entry_citation H2O N 15 protons ppm 4.55 internal indirect cylindrical internal parallel_to_Bo 0.101329 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name calerythrin _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 THR HA H 4.33 . 1 2 . 2 THR HB H 4.25 . 1 3 . 2 THR HG2 H 1.13 . 1 4 . 2 THR CA C 61.8 . 1 5 . 2 THR CB C 69.7 . 1 6 . 2 THR CG2 C 21.3 . 1 7 . 3 ALA H H 8.42 . 1 8 . 3 ALA HA H 4.53 . 1 9 . 3 ALA C C 178.7 . 1 10 . 3 ALA CA C 54.0 . 1 11 . 3 ALA CB C 18.9 . 1 12 . 3 ALA N N 127.4 . 1 13 . 4 ILE H H 7.91 . 1 14 . 4 ILE HA H 4.02 . 1 15 . 4 ILE HB H 1.77 . 1 16 . 4 ILE HG12 H 1.43 . 2 17 . 4 ILE HG13 H 1.09 . 2 18 . 4 ILE HG2 H 0.78 . 1 19 . 4 ILE HD1 H 0.78 . 1 20 . 4 ILE C C 176.6 . 1 21 . 4 ILE CA C 62.4 . 1 22 . 4 ILE CB C 38.4 . 1 23 . 4 ILE CG1 C 28.5 . 1 24 . 4 ILE CG2 C 17.3 . 1 25 . 4 ILE CD1 C 13.4 . 1 26 . 4 ILE N N 119.5 . 1 27 . 5 ALA H H 7.89 . 1 28 . 5 ALA HA H 4.25 . 1 29 . 5 ALA HB H 1.40 . 1 30 . 5 ALA C C 179.6 . 1 31 . 5 ALA CA C 54.1 . 1 32 . 5 ALA CB C 18.6 . 1 33 . 5 ALA N N 126.2 . 1 34 . 6 SER H H 8.16 . 1 35 . 6 SER HA H 4.14 . 1 36 . 6 SER HB2 H 3.93 . 1 37 . 6 SER HB3 H 3.93 . 1 38 . 6 SER C C 176.3 . 1 39 . 6 SER CA C 61.6 . 1 40 . 6 SER CB C 62.8 . 1 41 . 6 SER N N 115.9 . 1 42 . 7 ASP H H 8.21 . 1 43 . 7 ASP HA H 4.42 . 1 44 . 7 ASP HB2 H 2.69 . 1 45 . 7 ASP HB3 H 2.69 . 1 46 . 7 ASP C C 178.7 . 1 47 . 7 ASP CA C 57.5 . 1 48 . 7 ASP CB C 41.1 . 1 49 . 7 ASP N N 122.8 . 1 50 . 8 ARG H H 7.99 . 1 51 . 8 ARG HA H 3.99 . 1 52 . 8 ARG HB2 H 1.87 . 1 53 . 8 ARG HB3 H 1.87 . 1 54 . 8 ARG C C 179.7 . 1 55 . 8 ARG CA C 59.9 . 1 56 . 8 ARG CB C 29.7 . 1 57 . 8 ARG N N 119.1 . 1 58 . 9 LEU H H 8.18 . 1 59 . 9 LEU HA H 4.28 . 1 60 . 9 LEU HB2 H 2.09 . 2 61 . 9 LEU HB3 H 1.47 . 2 62 . 9 LEU HG H 1.92 . 1 63 . 9 LEU HD1 H 0.91 . 2 64 . 9 LEU HD2 H 0.80 . 2 65 . 9 LEU C C 178.5 . 1 66 . 9 LEU CA C 58.0 . 1 67 . 9 LEU CB C 42.4 . 1 68 . 9 LEU CG C 27.8 . 1 69 . 9 LEU CD1 C 26.0 . 2 70 . 9 LEU CD2 C 23.4 . 2 71 . 9 LEU N N 122.0 . 1 72 . 10 LYS H H 8.18 . 1 73 . 10 LYS HA H 3.97 . 1 74 . 10 LYS HB2 H 2.00 . 1 75 . 10 LYS HB3 H 2.00 . 1 76 . 10 LYS C C 178.5 . 1 77 . 10 LYS CA C 60.2 . 1 78 . 10 LYS CB C 32.1 . 1 79 . 10 LYS CG C 25.9 . 1 80 . 10 LYS CD C 28.8 . 1 81 . 10 LYS CE C 42.2 . 1 82 . 10 LYS N N 122.8 . 1 83 . 11 LYS H H 7.88 . 1 84 . 11 LYS HA H 4.10 . 1 85 . 11 LYS HB2 H 1.87 . 1 86 . 11 LYS HB3 H 1.87 . 1 87 . 11 LYS HE2 H 2.96 . 9 88 . 11 LYS HE3 H 2.96 . 9 89 . 11 LYS C C 178.8 . 1 90 . 11 LYS CA C 59.3 . 1 91 . 11 LYS CB C 32.2 . 1 92 . 11 LYS CG C 25.8 . 1 93 . 11 LYS CD C 29.0 . 1 94 . 11 LYS CE C 42.6 . 1 95 . 11 LYS N N 118.6 . 1 96 . 12 ARG H H 7.47 . 1 97 . 12 ARG HA H 3.52 . 1 98 . 12 ARG HB2 H 1.88 . 1 99 . 12 ARG HB3 H 1.88 . 1 100 . 12 ARG C C 176.0 . 1 101 . 12 ARG CA C 58.3 . 1 102 . 12 ARG CB C 29.7 . 1 103 . 12 ARG N N 120.5 . 1 104 . 13 PHE H H 8.02 . 1 105 . 13 PHE HA H 3.21 . 1 106 . 13 PHE HB2 H 3.41 . 2 107 . 13 PHE HB3 H 2.85 . 2 108 . 13 PHE C C 175.2 . 1 109 . 13 PHE CA C 62.1 . 1 110 . 13 PHE CB C 38.4 . 1 111 . 13 PHE N N 120.4 . 1 112 . 14 ASP H H 7.73 . 1 113 . 14 ASP HA H 4.60 . 1 114 . 14 ASP HB2 H 3.31 . 2 115 . 14 ASP HB3 H 2.95 . 2 116 . 14 ASP C C 179.0 . 1 117 . 14 ASP CA C 57.1 . 1 118 . 14 ASP CB C 40.8 . 1 119 . 14 ASP N N 116.0 . 1 120 . 15 ARG H H 7.76 . 1 121 . 15 ARG HA H 3.86 . 1 122 . 15 ARG HB2 H 1.74 . 1 123 . 15 ARG HB3 H 1.74 . 1 124 . 15 ARG C C 177.7 . 1 125 . 15 ARG CA C 58.6 . 1 126 . 15 ARG CB C 30.5 . 1 127 . 15 ARG N N 119.1 . 1 128 . 16 TRP H H 7.88 . 1 129 . 16 TRP HA H 4.45 . 1 130 . 16 TRP HB2 H 2.94 . 2 131 . 16 TRP HB3 H 2.70 . 2 132 . 16 TRP C C 174.1 . 1 133 . 16 TRP CA C 55.7 . 1 134 . 16 TRP CB C 28.6 . 1 135 . 16 TRP N N 118.9 . 1 136 . 17 ASP H H 6.97 . 1 137 . 17 ASP HA H 4.56 . 1 138 . 17 ASP HB2 H 2.55 . 2 139 . 17 ASP HB3 H 1.74 . 2 140 . 17 ASP C C 177.6 . 1 141 . 17 ASP CA C 52.3 . 1 142 . 17 ASP CB C 37.9 . 1 143 . 17 ASP N N 118.0 . 1 144 . 18 PHE H H 8.18 . 1 145 . 18 PHE HA H 3.86 . 1 146 . 18 PHE HB2 H 3.06 . 2 147 . 18 PHE HB3 H 3.01 . 2 148 . 18 PHE C C 177.8 . 1 149 . 18 PHE CA C 62.5 . 1 150 . 18 PHE CB C 40.9 . 1 151 . 18 PHE N N 128.3 . 1 152 . 19 ASP H H 8.48 . 1 153 . 19 ASP HA H 4.56 . 1 154 . 19 ASP HB2 H 2.94 . 2 155 . 19 ASP HB3 H 2.61 . 2 156 . 19 ASP C C 177.5 . 1 157 . 19 ASP CA C 53.2 . 1 158 . 19 ASP CB C 39.6 . 1 159 . 19 ASP N N 114.9 . 1 160 . 20 GLY H H 7.61 . 1 161 . 20 GLY HA2 H 3.77 . 1 162 . 20 GLY HA3 H 3.77 . 1 163 . 20 GLY C C 174.9 . 1 164 . 20 GLY CA C 47.6 . 1 165 . 20 GLY N N 110.4 . 1 166 . 21 ASN H H 8.28 . 1 167 . 21 ASN HA H 4.62 . 1 168 . 21 ASN HB2 H 3.14 . 2 169 . 21 ASN HB3 H 2.60 . 2 170 . 21 ASN HD21 H 8.45 . 2 171 . 21 ASN HD22 H 7.63 . 2 172 . 21 ASN C C 176.5 . 1 173 . 21 ASN CA C 53.1 . 1 174 . 21 ASN CB C 37.7 . 1 175 . 21 ASN N N 118.9 . 1 176 . 21 ASN ND2 N 119.7 . 1 177 . 22 GLY H H 10.43 . 1 178 . 22 GLY HA2 H 3.69 . 2 179 . 22 GLY HA3 H 4.17 . 2 180 . 22 GLY C C 172.7 . 1 181 . 22 GLY CA C 45.9 . 1 182 . 22 GLY N N 115.0 . 1 183 . 23 ALA H H 7.63 . 1 184 . 23 ALA HA H 5.05 . 1 185 . 23 ALA HB H 1.27 . 1 186 . 23 ALA C C 175.4 . 1 187 . 23 ALA CA C 50.7 . 1 188 . 23 ALA CB C 22.0 . 1 189 . 23 ALA N N 122.4 . 1 190 . 24 LEU H H 9.54 . 1 191 . 24 LEU HA H 5.26 . 1 192 . 24 LEU HB2 H 1.87 . 2 193 . 24 LEU HB3 H 1.70 . 2 194 . 24 LEU HG H 1.23 . 1 195 . 24 LEU HD1 H 0.46 . 2 196 . 24 LEU HD2 H 0.57 . 2 197 . 24 LEU C C 175.4 . 1 198 . 24 LEU CA C 53.7 . 1 199 . 24 LEU CB C 43.9 . 1 200 . 24 LEU CG C 26.5 . 1 201 . 24 LEU CD1 C 26.4 . 2 202 . 24 LEU CD2 C 23.1 . 2 203 . 24 LEU N N 125.3 . 1 204 . 25 GLU H H 8.75 . 1 205 . 25 GLU HA H 4.80 . 1 206 . 25 GLU HB2 H 2.13 . 2 207 . 25 GLU HB3 H 1.89 . 2 208 . 25 GLU HG2 H 2.37 . 2 209 . 25 GLU HG3 H 2.16 . 2 210 . 25 GLU C C 177.0 . 1 211 . 25 GLU CA C 55.4 . 1 212 . 25 GLU CB C 32.6 . 1 213 . 25 GLU CG C 37.4 . 1 214 . 25 GLU N N 124.7 . 1 215 . 26 ARG H H 8.48 . 1 216 . 26 ARG HA H 2.70 . 1 217 . 26 ARG HB2 H 1.44 . 1 218 . 26 ARG HB3 H 1.44 . 1 219 . 26 ARG HG2 H 1.31 . 2 220 . 26 ARG HG3 H 1.25 . 2 221 . 26 ARG HD2 H 3.25 . 2 222 . 26 ARG HD3 H 3.05 . 2 223 . 26 ARG C C 179.5 . 1 224 . 26 ARG CA C 60.9 . 1 225 . 26 ARG CB C 30.0 . 1 226 . 26 ARG CG C 28.6 . 1 227 . 26 ARG CD C 43.0 . 1 228 . 26 ARG N N 127.4 . 1 229 . 27 ALA H H 8.17 . 1 230 . 27 ALA HA H 4.01 . 1 231 . 27 ALA HB H 1.30 . 1 232 . 27 ALA C C 180.1 . 1 233 . 27 ALA CA C 54.8 . 1 234 . 27 ALA CB C 18.8 . 1 235 . 27 ALA N N 118.2 . 1 236 . 28 ASP H H 7.43 . 1 237 . 28 ASP HA H 4.54 . 1 238 . 28 ASP HB2 H 3.97 . 2 239 . 28 ASP HB3 H 3.37 . 2 240 . 28 ASP C C 177.9 . 1 241 . 28 ASP CA C 58.4 . 1 242 . 28 ASP CB C 41.0 . 1 243 . 28 ASP N N 118.2 . 1 244 . 29 PHE H H 7.28 . 1 245 . 29 PHE HA H 3.91 . 1 246 . 29 PHE HB2 H 3.35 . 2 247 . 29 PHE HB3 H 2.93 . 2 248 . 29 PHE C C 177.9 . 1 249 . 29 PHE CA C 61.2 . 1 250 . 29 PHE CB C 38.0 . 1 251 . 29 PHE N N 120.5 . 1 252 . 30 GLU H H 7.98 . 1 253 . 30 GLU HA H 3.79 . 1 254 . 30 GLU HB2 H 2.00 . 1 255 . 30 GLU HB3 H 2.00 . 1 256 . 30 GLU HG2 H 2.32 . 2 257 . 30 GLU HG3 H 2.03 . 2 258 . 30 GLU C C 179.1 . 1 259 . 30 GLU CA C 60.6 . 1 260 . 30 GLU CB C 29.6 . 1 261 . 30 GLU CG C 36.8 . 1 262 . 30 GLU N N 119.9 . 1 263 . 31 LYS H H 7.92 . 1 264 . 31 LYS HA H 3.59 . 1 265 . 31 LYS HB2 H 1.28 . 2 266 . 31 LYS HB3 H 0.49 . 2 267 . 31 LYS HG2 H 0.96 . 1 268 . 31 LYS HG3 H 0.96 . 1 269 . 31 LYS HD2 H 1.39 . 1 270 . 31 LYS HD3 H 1.39 . 1 271 . 31 LYS HE2 H 2.77 . 2 272 . 31 LYS HE3 H 2.69 . 2 273 . 31 LYS C C 179.1 . 1 274 . 31 LYS CA C 59.2 . 1 275 . 31 LYS CB C 31.4 . 1 276 . 31 LYS CG C 26.1 . 1 277 . 31 LYS CD C 29.9 . 1 278 . 31 LYS CE C 42.5 . 1 279 . 31 LYS N N 120.6 . 1 280 . 32 GLU H H 7.94 . 1 281 . 32 GLU HA H 4.23 . 1 282 . 32 GLU HB2 H 1.27 . 1 283 . 32 GLU HB3 H 1.27 . 1 284 . 32 GLU C C 177.7 . 1 285 . 32 GLU CA C 57.6 . 1 286 . 32 GLU CB C 26.1 . 1 287 . 32 GLU N N 124.2 . 1 288 . 33 ALA H H 7.20 . 1 289 . 33 ALA HA H 3.43 . 1 290 . 33 ALA HB H 1.24 . 1 291 . 33 ALA C C 178.6 . 1 292 . 33 ALA CA C 54.9 . 1 293 . 33 ALA CB C 18.4 . 1 294 . 33 ALA N N 121.7 . 1 295 . 34 GLN H H 7.43 . 1 296 . 34 GLN HA H 3.69 . 1 297 . 34 GLN HB2 H 1.98 . 1 298 . 34 GLN HB3 H 1.98 . 1 299 . 34 GLN HG2 H 2.24 . 1 300 . 34 GLN HG3 H 2.24 . 1 301 . 34 GLN HE21 H 7.50 . 2 302 . 34 GLN HE22 H 6.58 . 2 303 . 34 GLN C C 177.2 . 1 304 . 34 GLN CA C 59.0 . 1 305 . 34 GLN CB C 28.1 . 1 306 . 34 GLN CG C 33.8 . 1 307 . 34 GLN N N 117.0 . 1 308 . 34 GLN NE2 N 112.1 . 1 309 . 35 HIS H H 8.30 . 1 310 . 35 HIS HA H 4.35 . 1 311 . 35 HIS HB2 H 3.46 . 2 312 . 35 HIS HB3 H 3.19 . 2 313 . 35 HIS C C 177.0 . 1 314 . 35 HIS CA C 58.9 . 1 315 . 35 HIS CB C 28.2 . 1 316 . 35 HIS N N 120.4 . 1 317 . 36 ILE H H 8.09 . 1 318 . 36 ILE HA H 3.26 . 1 319 . 36 ILE HB H 1.70 . 1 320 . 36 ILE HG12 H 0.94 . 1 321 . 36 ILE HG13 H 0.94 . 1 322 . 36 ILE HG2 H 0.63 . 1 323 . 36 ILE HD1 H 0.89 . 1 324 . 36 ILE C C 176.7 . 1 325 . 36 ILE CA C 65.2 . 1 326 . 36 ILE CB C 37.7 . 1 327 . 36 ILE CG1 C 28.9 . 1 328 . 36 ILE CG2 C 17.8 . 1 329 . 36 ILE CD1 C 13.8 . 1 330 . 36 ILE N N 121.6 . 1 331 . 37 ALA H H 7.76 . 1 332 . 37 ALA HA H 4.05 . 1 333 . 37 ALA HB H 1.33 . 1 334 . 37 ALA C C 179.7 . 1 335 . 37 ALA CA C 55.8 . 1 336 . 37 ALA CB C 19.6 . 1 337 . 37 ALA N N 121.3 . 1 338 . 38 GLU H H 8.26 . 1 339 . 38 GLU HA H 4.04 . 1 340 . 38 GLU HB2 H 2.10 . 2 341 . 38 GLU HB3 H 1.99 . 2 342 . 38 GLU HG2 H 2.46 . 2 343 . 38 GLU HG3 H 2.24 . 2 344 . 38 GLU C C 180.6 . 1 345 . 38 GLU CA C 59.2 . 1 346 . 38 GLU CB C 29.4 . 1 347 . 38 GLU CG C 36.7 . 1 348 . 38 GLU N N 118.6 . 1 349 . 39 ALA H H 8.00 . 1 350 . 39 ALA HA H 4.01 . 1 351 . 39 ALA HB H 1.19 . 1 352 . 39 ALA C C 179.3 . 1 353 . 39 ALA CA C 54.8 . 1 354 . 39 ALA CB C 17.1 . 1 355 . 39 ALA N N 126.1 . 1 356 . 40 PHE H H 7.65 . 1 357 . 40 PHE HA H 4.48 . 1 358 . 40 PHE HB2 H 3.29 . 2 359 . 40 PHE HB3 H 2.89 . 2 360 . 40 PHE C C 176.2 . 1 361 . 40 PHE CA C 57.6 . 1 362 . 40 PHE CB C 39.4 . 1 363 . 40 PHE N N 115.6 . 1 364 . 41 GLY H H 8.02 . 1 365 . 41 GLY HA2 H 4.06 . 2 366 . 41 GLY HA3 H 3.86 . 2 367 . 41 GLY C C 175.0 . 1 368 . 41 GLY CA C 46.3 . 1 369 . 41 GLY N N 110.2 . 1 370 . 42 LYS H H 8.00 . 1 371 . 42 LYS HA H 4.43 . 1 372 . 42 LYS HB2 H 1.57 . 1 373 . 42 LYS HB3 H 1.57 . 1 374 . 42 LYS HG2 H 1.38 . 1 375 . 42 LYS HG3 H 1.38 . 1 376 . 42 LYS HD2 H 1.56 . 1 377 . 42 LYS HD3 H 1.56 . 1 378 . 42 LYS HE2 H 2.93 . 1 379 . 42 LYS HE3 H 2.93 . 1 380 . 42 LYS C C 175.6 . 1 381 . 42 LYS CA C 54.0 . 1 382 . 42 LYS CB C 33.3 . 1 383 . 42 LYS CG C 25.0 . 1 384 . 42 LYS CD C 28.1 . 1 385 . 42 LYS CE C 42.8 . 1 386 . 42 LYS N N 120.1 . 1 387 . 43 ASP H H 8.27 . 1 388 . 43 ASP HA H 4.46 . 1 389 . 43 ASP HB2 H 2.64 . 2 390 . 43 ASP HB3 H 2.58 . 2 391 . 43 ASP C C 176.3 . 1 392 . 43 ASP CA C 54.1 . 1 393 . 43 ASP CB C 42.9 . 1 394 . 43 ASP N N 122.9 . 1 395 . 44 ALA H H 8.28 . 1 396 . 44 ALA HA H 3.96 . 1 397 . 44 ALA HB H 1.33 . 1 398 . 44 ALA C C 178.0 . 1 399 . 44 ALA CA C 54.3 . 1 400 . 44 ALA CB C 18.7 . 1 401 . 44 ALA N N 125.0 . 1 402 . 45 GLY H H 8.43 . 1 403 . 45 GLY HA2 H 4.07 . 2 404 . 45 GLY HA3 H 3.59 . 2 405 . 45 GLY C C 174.6 . 1 406 . 45 GLY CA C 44.8 . 1 407 . 45 GLY N N 105.2 . 1 408 . 46 ALA H H 7.67 . 1 409 . 46 ALA HA H 4.30 . 1 410 . 46 ALA HB H 1.60 . 1 411 . 46 ALA C C 179.6 . 1 412 . 46 ALA CA C 52.6 . 1 413 . 46 ALA CB C 19.1 . 1 414 . 46 ALA N N 124.9 . 1 415 . 47 ALA H H 8.98 . 1 416 . 47 ALA HA H 4.52 . 1 417 . 47 ALA HB H 1.40 . 1 418 . 47 ALA C C 180.4 . 1 419 . 47 ALA CA C 55.8 . 1 420 . 47 ALA CB C 18.6 . 1 421 . 47 ALA N N 128.8 . 1 422 . 48 GLU H H 10.05 . 1 423 . 48 GLU HA H 4.04 . 1 424 . 48 GLU C C 179.3 . 1 425 . 48 GLU CA C 59.9 . 1 426 . 48 GLU CB C 28.7 . 1 427 . 48 GLU CG C 36.8 . 1 428 . 48 GLU N N 117.3 . 1 429 . 49 VAL H H 7.44 . 1 430 . 49 VAL HA H 3.45 . 1 431 . 49 VAL HB H 2.24 . 1 432 . 49 VAL HG1 H 0.90 . 2 433 . 49 VAL HG2 H 0.81 . 2 434 . 49 VAL C C 177.4 . 1 435 . 49 VAL CA C 66.1 . 1 436 . 49 VAL CB C 31.0 . 1 437 . 49 VAL CG1 C 24.4 . 2 438 . 49 VAL CG2 C 21.4 . 2 439 . 49 VAL N N 121.9 . 1 440 . 50 GLN H H 7.60 . 1 441 . 50 GLN HA H 3.90 . 1 442 . 50 GLN HB2 H 2.17 . 1 443 . 50 GLN HB3 H 2.17 . 1 444 . 50 GLN HG2 H 2.35 . 1 445 . 50 GLN HG3 H 2.35 . 1 446 . 50 GLN HE21 H 7.23 . 2 447 . 50 GLN HE22 H 6.89 . 2 448 . 50 GLN C C 178.7 . 1 449 . 50 GLN CA C 59.0 . 1 450 . 50 GLN CB C 27.7 . 1 451 . 50 GLN CG C 33.6 . 1 452 . 50 GLN N N 121.9 . 1 453 . 50 GLN NE2 N 114.3 . 1 454 . 51 THR H H 8.19 . 1 455 . 51 THR HA H 3.92 . 1 456 . 51 THR HB H 4.12 . 1 457 . 51 THR HG2 H 1.20 . 1 458 . 51 THR C C 176.7 . 1 459 . 51 THR CA C 66.7 . 1 460 . 51 THR CB C 68.5 . 1 461 . 51 THR CG2 C 22.2 . 1 462 . 51 THR N N 116.8 . 1 463 . 52 LEU H H 7.47 . 1 464 . 52 LEU HA H 4.11 . 1 465 . 52 LEU HB2 H 1.99 . 2 466 . 52 LEU HB3 H 1.40 . 2 467 . 52 LEU HD1 H 0.91 . 2 468 . 52 LEU HD2 H 0.98 . 2 469 . 52 LEU C C 178.4 . 1 470 . 52 LEU CA C 58.3 . 1 471 . 52 LEU CB C 42.2 . 1 472 . 52 LEU CD1 C 26.6 . 2 473 . 52 LEU CD2 C 24.3 . 2 474 . 52 LEU N N 124.6 . 1 475 . 53 LYS H H 8.77 . 1 476 . 53 LYS HA H 3.77 . 1 477 . 53 LYS HB2 H 1.88 . 1 478 . 53 LYS HB3 H 1.88 . 1 479 . 53 LYS HG2 H 1.55 . 2 480 . 53 LYS HG3 H 1.38 . 2 481 . 53 LYS HD2 H 1.60 . 1 482 . 53 LYS HD3 H 1.60 . 1 483 . 53 LYS HE2 H 2.85 . 2 484 . 53 LYS HE3 H 2.73 . 2 485 . 53 LYS C C 179.3 . 1 486 . 53 LYS CA C 61.2 . 1 487 . 53 LYS CB C 32.4 . 1 488 . 53 LYS CG C 26.2 . 1 489 . 53 LYS CD C 29.9 . 1 490 . 53 LYS CE C 42.0 . 1 491 . 53 LYS N N 121.6 . 1 492 . 54 ASN H H 8.45 . 1 493 . 54 ASN HA H 4.53 . 1 494 . 54 ASN HB2 H 2.96 . 2 495 . 54 ASN HB3 H 2.87 . 2 496 . 54 ASN HD21 H 7.51 . 2 497 . 54 ASN HD22 H 6.90 . 2 498 . 54 ASN C C 178.4 . 1 499 . 54 ASN CA C 55.9 . 1 500 . 54 ASN CB C 37.8 . 1 501 . 54 ASN N N 119.8 . 1 502 . 54 ASN ND2 N 112.4 . 1 503 . 55 ALA H H 8.19 . 1 504 . 55 ALA HA H 4.17 . 1 505 . 55 ALA HB H 1.37 . 1 506 . 55 ALA C C 180.8 . 9 507 . 55 ALA CA C 54.9 . 1 508 . 55 ALA CB C 17.8 . 1 509 . 55 ALA N N 125.5 . 1 510 . 56 PHE H H 8.79 . 1 511 . 56 PHE HA H 4.10 . 1 512 . 56 PHE HB2 H 3.07 . 2 513 . 56 PHE HB3 H 2.94 . 2 514 . 56 PHE C C 178.9 . 9 515 . 56 PHE CA C 62.8 . 1 516 . 56 PHE CB C 39.1 . 1 517 . 56 PHE N N 121.1 . 1 518 . 57 GLY H H 8.77 . 1 519 . 57 GLY HA2 H 3.95 . 2 520 . 57 GLY HA3 H 3.78 . 2 521 . 57 GLY C C 175.4 . 1 522 . 57 GLY CA C 47.5 . 1 523 . 57 GLY N N 109.1 . 1 524 . 58 GLY H H 8.18 . 1 525 . 58 GLY HA2 H 4.04 . 2 526 . 58 GLY HA3 H 3.94 . 2 527 . 58 GLY C C 176.7 . 1 528 . 58 GLY CA C 46.9 . 1 529 . 58 GLY N N 109.0 . 1 530 . 59 LEU H H 7.72 . 1 531 . 59 LEU HA H 4.30 . 1 532 . 59 LEU HB2 H 2.33 . 1 533 . 59 LEU HB3 H 2.33 . 1 534 . 59 LEU C C 177.7 . 1 535 . 59 LEU CA C 58.1 . 1 536 . 59 LEU CB C 41.5 . 1 537 . 59 LEU N N 125.9 . 1 538 . 60 PHE H H 8.02 . 1 539 . 60 PHE HA H 3.34 . 1 540 . 60 PHE HB2 H 3.16 . 2 541 . 60 PHE HB3 H 2.34 . 2 542 . 60 PHE C C 176.0 . 1 543 . 60 PHE CA C 63.3 . 1 544 . 60 PHE CB C 37.7 . 1 545 . 60 PHE N N 120.9 . 1 546 . 61 ASP H H 8.60 . 1 547 . 61 ASP HA H 4.14 . 1 548 . 61 ASP HB2 H 2.88 . 2 549 . 61 ASP HB3 H 2.66 . 2 550 . 61 ASP C C 179.0 . 1 551 . 61 ASP CA C 57.9 . 1 552 . 61 ASP CB C 40.3 . 1 553 . 61 ASP N N 118.8 . 1 554 . 62 TYR H H 7.77 . 1 555 . 62 TYR HA H 4.04 . 1 556 . 62 TYR HB2 H 3.18 . 2 557 . 62 TYR HB3 H 3.14 . 2 558 . 62 TYR C C 176.5 . 1 559 . 62 TYR CA C 62.1 . 1 560 . 62 TYR CB C 38.5 . 1 561 . 62 TYR N N 121.3 . 1 562 . 63 LEU H H 8.00 . 1 563 . 63 LEU HA H 3.56 . 1 564 . 63 LEU HB2 H 1.72 . 2 565 . 63 LEU HB3 H 1.19 . 2 566 . 63 LEU HG H 2.18 . 1 567 . 63 LEU HD1 H 1.07 . 2 568 . 63 LEU HD2 H 0.84 . 2 569 . 63 LEU C C 178.3 . 1 570 . 63 LEU CA C 57.9 . 1 571 . 63 LEU CB C 42.0 . 1 572 . 63 LEU CG C 26.4 . 1 573 . 63 LEU CD1 C 26.7 . 2 574 . 63 LEU CD2 C 22.3 . 2 575 . 63 LEU N N 120.5 . 1 576 . 64 ALA H H 8.89 . 1 577 . 64 ALA HA H 3.55 . 1 578 . 64 ALA HB H 0.75 . 1 579 . 64 ALA C C 180.1 . 1 580 . 64 ALA CA C 55.1 . 1 581 . 64 ALA CB C 17.6 . 1 582 . 64 ALA N N 120.4 . 1 583 . 65 LYS H H 7.63 . 1 584 . 65 LYS HA H 3.99 . 1 585 . 65 LYS HB2 H 1.87 . 1 586 . 65 LYS HB3 H 1.87 . 1 587 . 65 LYS HG2 H 1.40 . 2 588 . 65 LYS HG3 H 1.32 . 2 589 . 65 LYS HD2 H 1.61 . 1 590 . 65 LYS HD3 H 1.61 . 1 591 . 65 LYS HE2 H 2.92 . 1 592 . 65 LYS HE3 H 2.92 . 1 593 . 65 LYS C C 180.7 . 1 594 . 65 LYS CA C 59.3 . 1 595 . 65 LYS CB C 31.6 . 1 596 . 65 LYS CG C 24.7 . 1 597 . 65 LYS CD C 29.1 . 1 598 . 65 LYS CE C 42.2 . 1 599 . 65 LYS N N 120.3 . 1 600 . 66 GLU H H 7.77 . 1 601 . 66 GLU HA H 3.81 . 1 602 . 66 GLU HB2 H 1.92 . 2 603 . 66 GLU HB3 H 1.71 . 4 604 . 66 GLU HG2 H 1.86 . 2 605 . 66 GLU HG3 H 1.74 . 4 606 . 66 GLU C C 178.4 . 1 607 . 66 GLU CA C 58.4 . 1 608 . 66 GLU CB C 29.7 . 1 609 . 66 GLU CG C 35.6 . 1 610 . 66 GLU N N 120.4 . 1 611 . 67 ALA H H 8.05 . 1 612 . 67 ALA HA H 4.16 . 1 613 . 67 ALA HB H 1.33 . 1 614 . 67 ALA C C 177.3 . 1 615 . 67 ALA CA C 52.5 . 1 616 . 67 ALA CB C 19.7 . 1 617 . 67 ALA N N 120.4 . 1 618 . 68 GLY H H 7.72 . 1 619 . 68 GLY HA2 H 4.08 . 2 620 . 68 GLY HA3 H 3.80 . 2 621 . 68 GLY C C 174.9 . 1 622 . 68 GLY CA C 46.0 . 1 623 . 68 GLY N N 107.7 . 1 624 . 69 VAL H H 7.84 . 1 625 . 69 VAL HA H 4.40 . 1 626 . 69 VAL HB H 2.24 . 1 627 . 69 VAL HG1 H 1.07 . 2 628 . 69 VAL HG2 H 0.90 . 2 629 . 69 VAL C C 175.9 . 1 630 . 69 VAL CA C 61.1 . 1 631 . 69 VAL CB C 33.6 . 1 632 . 69 VAL CG1 C 21.4 . 2 633 . 69 VAL CG2 C 19.5 . 2 634 . 69 VAL N N 116.3 . 1 635 . 70 GLY H H 7.88 . 1 636 . 70 GLY HA2 H 4.13 . 2 637 . 70 GLY HA3 H 4.00 . 2 638 . 70 GLY C C 174.6 . 1 639 . 70 GLY CA C 44.7 . 1 640 . 70 GLY N N 109.9 . 1 641 . 71 SER H H 8.41 . 1 642 . 71 SER HA H 4.19 . 1 643 . 71 SER HB2 H 3.92 . 1 644 . 71 SER HB3 H 3.92 . 1 645 . 71 SER C C 175.0 . 1 646 . 71 SER CA C 62.0 . 1 647 . 71 SER CB C 63.5 . 1 648 . 71 SER N N 115.5 . 1 649 . 72 ASP H H 8.53 . 1 650 . 72 ASP HA H 4.80 . 1 651 . 72 ASP HB2 H 2.77 . 2 652 . 72 ASP HB3 H 2.71 . 2 653 . 72 ASP C C 176.6 . 1 654 . 72 ASP CA C 53.5 . 1 655 . 72 ASP CB C 40.4 . 1 656 . 72 ASP N N 119.3 . 1 657 . 73 GLY H H 7.82 . 1 658 . 73 GLY HA2 H 4.42 . 2 659 . 73 GLY HA3 H 3.73 . 2 660 . 73 GLY C C 172.2 . 1 661 . 73 GLY CA C 44.7 . 1 662 . 73 GLY N N 109.6 . 1 663 . 74 SER H H 8.07 . 1 664 . 74 SER HA H 5.33 . 1 665 . 74 SER HB2 H 3.76 . 2 666 . 74 SER HB3 H 3.51 . 2 667 . 74 SER C C 172.8 . 1 668 . 74 SER CA C 57.3 . 1 669 . 74 SER CB C 66.1 . 1 670 . 74 SER N N 114.0 . 1 671 . 75 LEU H H 9.48 . 1 672 . 75 LEU HA H 5.15 . 1 673 . 75 LEU HB2 H 1.98 . 2 674 . 75 LEU HB3 H 1.82 . 2 675 . 75 LEU HG H 1.74 . 1 676 . 75 LEU HD1 H 0.79 . 2 677 . 75 LEU HD2 H 0.72 . 2 678 . 75 LEU C C 177.8 . 1 679 . 75 LEU CA C 54.0 . 1 680 . 75 LEU CB C 45.3 . 1 681 . 75 LEU CG C 27.6 . 1 682 . 75 LEU CD1 C 26.8 . 2 683 . 75 LEU CD2 C 25.6 . 2 684 . 75 LEU N N 123.0 . 1 685 . 76 THR H H 8.83 . 1 686 . 76 THR HA H 4.68 . 1 687 . 76 THR HB H 4.77 . 1 688 . 76 THR HG2 H 1.37 . 1 689 . 76 THR C C 175.0 . 1 690 . 76 THR CA C 60.7 . 1 691 . 76 THR CB C 71.5 . 1 692 . 76 THR CG2 C 21.8 . 1 693 . 76 THR N N 114.7 . 1 694 . 77 GLU H H 8.79 . 1 695 . 77 GLU C C 177.7 . 1 696 . 77 GLU CA C 60.6 . 1 697 . 77 GLU CB C 29.7 . 1 698 . 77 GLU CG C 35.9 . 1 699 . 77 GLU N N 124.2 . 1 700 . 78 GLU H H 8.31 . 1 701 . 78 GLU HA H 3.87 . 1 702 . 78 GLU HB2 H 2.02 . 2 703 . 78 GLU HB3 H 1.90 . 2 704 . 78 GLU HG2 H 2.28 . 2 705 . 78 GLU HG3 H 2.23 . 2 706 . 78 GLU C C 179.6 . 1 707 . 78 GLU CA C 59.9 . 1 708 . 78 GLU CB C 29.4 . 1 709 . 78 GLU CG C 36.3 . 1 710 . 78 GLU N N 117.9 . 1 711 . 79 GLN H H 7.53 . 1 712 . 79 GLN HA H 3.99 . 1 713 . 79 GLN HB2 H 2.47 . 2 714 . 79 GLN HB3 H 1.75 . 2 715 . 79 GLN HE21 H 7.37 . 2 716 . 79 GLN HE22 H 6.24 . 2 717 . 79 GLN C C 177.8 . 1 718 . 79 GLN CA C 59.0 . 1 719 . 79 GLN CB C 29.5 . 1 720 . 79 GLN CG C 34.5 . 1 721 . 79 GLN N N 118.9 . 1 722 . 79 GLN NE2 N 109.8 . 1 723 . 80 PHE H H 8.91 . 1 724 . 80 PHE HA H 4.11 . 1 725 . 80 PHE HB2 H 3.41 . 2 726 . 80 PHE HB3 H 3.28 . 2 727 . 80 PHE C C 178.1 . 1 728 . 80 PHE CA C 62.0 . 1 729 . 80 PHE CB C 40.4 . 1 730 . 80 PHE N N 119.6 . 1 731 . 81 ILE H H 8.82 . 1 732 . 81 ILE HA H 3.37 . 1 733 . 81 ILE HB H 1.87 . 1 734 . 81 ILE HG12 H 1.87 . 2 735 . 81 ILE HG13 H 1.08 . 2 736 . 81 ILE HG2 H 0.83 . 1 737 . 81 ILE HD1 H 0.83 . 1 738 . 81 ILE C C 176.6 . 1 739 . 81 ILE CA C 65.9 . 1 740 . 81 ILE CB C 37.7 . 1 741 . 81 ILE CG1 C 29.6 . 1 742 . 81 ILE CG2 C 17.0 . 1 743 . 81 ILE CD1 C 13.6 . 1 744 . 81 ILE N N 122.1 . 1 745 . 82 ARG H H 7.89 . 1 746 . 82 ARG HA H 4.04 . 1 747 . 82 ARG HD2 H 3.22 . 1 748 . 82 ARG HD3 H 3.22 . 1 749 . 82 ARG C C 179.7 . 1 750 . 82 ARG CA C 59.9 . 1 751 . 82 ARG CB C 30.3 . 1 752 . 82 ARG CG C 26.9 . 1 753 . 82 ARG CD C 43.5 . 1 754 . 82 ARG N N 120.2 . 1 755 . 83 VAL H H 8.37 . 1 756 . 83 VAL HA H 3.91 . 1 757 . 83 VAL HB H 2.06 . 1 758 . 83 VAL HG1 H 0.98 . 2 759 . 83 VAL HG2 H 1.09 . 2 760 . 83 VAL C C 179.0 . 1 761 . 83 VAL CA C 65.8 . 1 762 . 83 VAL CB C 31.7 . 1 763 . 83 VAL CG1 C 22.6 . 2 764 . 83 VAL CG2 C 21.5 . 2 765 . 83 VAL N N 116.0 . 1 766 . 84 THR H H 7.85 . 1 767 . 84 THR HA H 3.68 . 1 768 . 84 THR HB H 4.04 . 1 769 . 84 THR HG2 H 1.14 . 1 770 . 84 THR C C 176.6 . 1 771 . 84 THR CA C 61.6 . 1 772 . 84 THR CB C 68.9 . 1 773 . 84 THR CG2 C 20.9 . 1 774 . 84 THR N N 117.9 . 1 775 . 85 GLU H H 8.74 . 1 776 . 85 GLU HA H 3.80 . 1 777 . 85 GLU HB2 H 2.22 . 2 778 . 85 GLU HB3 H 2.08 . 2 779 . 85 GLU HG2 H 2.52 . 2 780 . 85 GLU HG3 H 2.07 . 2 781 . 85 GLU C C 178.5 . 1 782 . 85 GLU CA C 60.5 . 1 783 . 85 GLU CB C 28.9 . 1 784 . 85 GLU CG C 37.1 . 1 785 . 85 GLU N N 122.9 . 1 786 . 86 ASN H H 7.72 . 1 787 . 86 ASN HA H 4.41 . 1 788 . 86 ASN HB2 H 2.93 . 2 789 . 86 ASN HB3 H 2.83 . 2 790 . 86 ASN HD21 H 7.80 . 2 791 . 86 ASN HD22 H 6.85 . 2 792 . 86 ASN C C 177.1 . 1 793 . 86 ASN CA C 56.9 . 1 794 . 86 ASN CB C 39.1 . 1 795 . 86 ASN N N 118.2 . 1 796 . 86 ASN ND2 N 113.4 . 1 797 . 87 LEU H H 7.69 . 1 798 . 87 LEU HA H 4.04 . 1 799 . 87 LEU HB2 H 1.99 . 2 800 . 87 LEU HB3 H 1.74 . 2 801 . 87 LEU HG H 1.55 . 1 802 . 87 LEU HD1 H 0.67 . 2 803 . 87 LEU HD2 H 0.71 . 2 804 . 87 LEU C C 176.9 . 1 805 . 87 LEU CA C 58.1 . 1 806 . 87 LEU CB C 42.6 . 1 807 . 87 LEU CG C 27.6 . 1 808 . 87 LEU CD1 C 25.0 . 2 809 . 87 LEU CD2 C 22.7 . 2 810 . 87 LEU N N 121.1 . 1 811 . 88 ILE H H 7.97 . 1 812 . 88 ILE HA H 3.49 . 1 813 . 88 ILE HB H 1.26 . 1 814 . 88 ILE HG12 H 1.38 . 2 815 . 88 ILE HG13 H 0.80 . 2 816 . 88 ILE HG2 H 0.03 . 1 817 . 88 ILE HD1 H 0.27 . 1 818 . 88 ILE C C 176.9 . 1 819 . 88 ILE CA C 64.4 . 1 820 . 88 ILE CB C 38.5 . 1 821 . 88 ILE CG1 C 28.8 . 1 822 . 88 ILE CG2 C 17.6 . 1 823 . 88 ILE CD1 C 13.2 . 1 824 . 88 ILE N N 115.2 . 1 825 . 89 PHE H H 8.25 . 1 826 . 89 PHE HA H 4.64 . 1 827 . 89 PHE HB2 H 3.24 . 2 828 . 89 PHE HB3 H 3.06 . 2 829 . 89 PHE C C 177.3 . 1 830 . 89 PHE CA C 59.4 . 1 831 . 89 PHE CB C 39.4 . 1 832 . 89 PHE N N 115.4 . 1 833 . 90 GLU H H 7.85 . 1 834 . 90 GLU HA H 4.61 . 1 835 . 90 GLU HB2 H 2.26 . 1 836 . 90 GLU HB3 H 2.26 . 1 837 . 90 GLU HG2 H 2.35 . 1 838 . 90 GLU HG3 H 2.35 . 1 839 . 90 GLU C C 177.3 . 1 840 . 90 GLU CA C 57.3 . 1 841 . 90 GLU CB C 30.6 . 1 842 . 90 GLU CG C 36.2 . 1 843 . 90 GLU N N 118.6 . 1 844 . 91 GLN H H 7.78 . 1 845 . 91 GLN HA H 4.37 . 1 846 . 91 GLN HB2 H 2.31 . 1 847 . 91 GLN HB3 H 2.31 . 1 848 . 91 GLN HG2 H 2.44 . 2 849 . 91 GLN HG3 H 2.38 . 2 850 . 91 GLN HE21 H 7.50 . 2 851 . 91 GLN HE22 H 6.70 . 2 852 . 91 GLN C C 176.9 . 1 853 . 91 GLN CA C 56.7 . 1 854 . 91 GLN CB C 29.3 . 1 855 . 91 GLN CG C 34.4 . 1 856 . 91 GLN N N 119.1 . 1 857 . 91 GLN NE2 N 113.3 . 1 858 . 92 GLY H H 8.24 . 1 859 . 92 GLY HA2 H 4.15 . 2 860 . 92 GLY HA3 H 4.01 . 2 861 . 92 GLY C C 174.8 . 1 862 . 92 GLY CA C 45.1 . 1 863 . 92 GLY N N 108.9 . 1 864 . 93 GLU H H 8.65 . 1 865 . 93 GLU HA H 3.91 . 1 866 . 93 GLU HB2 H 2.02 . 1 867 . 93 GLU HB3 H 2.02 . 1 868 . 93 GLU C C 177.2 . 1 869 . 93 GLU CA C 59.8 . 1 870 . 93 GLU CB C 29.9 . 1 871 . 93 GLU CG C 36.3 . 1 872 . 93 GLU N N 122.1 . 1 873 . 94 ALA H H 8.42 . 1 874 . 94 ALA HA H 4.18 . 1 875 . 94 ALA HB H 1.42 . 1 876 . 94 ALA C C 180.6 . 1 877 . 94 ALA CA C 55.2 . 1 878 . 94 ALA CB C 18.2 . 1 879 . 94 ALA N N 122.1 . 1 880 . 95 SER H H 7.97 . 1 881 . 95 SER HA H 4.20 . 1 882 . 95 SER HB2 H 3.91 . 2 883 . 95 SER HB3 H 3.78 . 2 884 . 95 SER C C 175.1 . 1 885 . 95 SER CA C 61.3 . 1 886 . 95 SER CB C 63.1 . 1 887 . 95 SER N N 115.7 . 1 888 . 96 PHE H H 8.01 . 1 889 . 96 PHE HA H 3.72 . 1 890 . 96 PHE HB2 H 3.20 . 2 891 . 96 PHE HB3 H 3.13 . 2 892 . 96 PHE C C 176.9 . 1 893 . 96 PHE CA C 62.2 . 1 894 . 96 PHE CB C 39.3 . 1 895 . 96 PHE N N 123.7 . 1 896 . 97 ASN H H 8.71 . 1 897 . 97 ASN HA H 4.20 . 1 898 . 97 ASN HB2 H 2.88 . 2 899 . 97 ASN HB3 H 2.69 . 2 900 . 97 ASN HD21 H 7.22 . 2 901 . 97 ASN HD22 H 6.70 . 2 902 . 97 ASN C C 178.8 . 1 903 . 97 ASN CA C 56.0 . 1 904 . 97 ASN CB C 37.5 . 1 905 . 97 ASN N N 118.8 . 1 906 . 97 ASN ND2 N 108.8 . 1 907 . 98 ARG H H 7.78 . 1 908 . 98 ARG HA H 3.99 . 1 909 . 98 ARG HB2 H 1.89 . 1 910 . 98 ARG HB3 H 1.89 . 1 911 . 98 ARG HG2 H 1.69 . 2 912 . 98 ARG HG3 H 1.53 . 2 913 . 98 ARG HD2 H 3.20 . 1 914 . 98 ARG HD3 H 3.20 . 1 915 . 98 ARG C C 177.4 . 1 916 . 98 ARG CA C 59.2 . 1 917 . 98 ARG CB C 30.3 . 1 918 . 98 ARG CG C 27.6 . 1 919 . 98 ARG CD C 43.5 . 1 920 . 98 ARG N N 121.8 . 1 921 . 99 VAL H H 7.41 . 1 922 . 99 VAL HA H 3.65 . 1 923 . 99 VAL HB H 1.47 . 1 924 . 99 VAL HG1 H 0.39 . 2 925 . 99 VAL HG2 H 0.29 . 2 926 . 99 VAL C C 176.7 . 1 927 . 99 VAL CA C 64.7 . 1 928 . 99 VAL CB C 32.0 . 1 929 . 99 VAL CG1 C 21.3 . 1 930 . 99 VAL CG2 C 21.3 . 1 931 . 99 VAL N N 117.3 . 1 932 . 100 LEU H H 8.08 . 1 933 . 100 LEU HA H 4.17 . 1 934 . 100 LEU HB2 H 1.09 . 1 935 . 100 LEU HB3 H 1.09 . 1 936 . 100 LEU HG H 1.35 . 1 937 . 100 LEU HD1 H 0.55 . 2 938 . 100 LEU HD2 H 0.43 . 2 939 . 100 LEU C C 178.9 . 1 940 . 100 LEU CA C 53.9 . 1 941 . 100 LEU CB C 41.1 . 1 942 . 100 LEU CG C 28.4 . 1 943 . 100 LEU CD1 C 23.9 . 2 944 . 100 LEU CD2 C 23.4 . 2 945 . 100 LEU N N 119.3 . 1 946 . 101 GLY H H 7.77 . 1 947 . 101 GLY HA2 H 4.29 . 2 948 . 101 GLY HA3 H 3.70 . 2 949 . 101 GLY CA C 49.4 . 1 950 . 101 GLY N N 110.3 . 1 951 . 102 PRO HA H 4.11 . 1 952 . 102 PRO HB2 H 2.35 . 2 953 . 102 PRO HB3 H 1.86 . 2 954 . 102 PRO HG2 H 2.09 . 1 955 . 102 PRO HG3 H 2.09 . 1 956 . 102 PRO HD2 H 3.49 . 2 957 . 102 PRO HD3 H 3.36 . 2 958 . 102 PRO C C 179.6 . 1 959 . 102 PRO CA C 65.5 . 1 960 . 102 PRO CB C 32.3 . 1 961 . 102 PRO CG C 28.4 . 1 962 . 102 PRO CD C 51.4 . 1 963 . 103 VAL H H 6.89 . 1 964 . 103 VAL HA H 3.27 . 1 965 . 103 VAL HB H 2.09 . 1 966 . 103 VAL HG1 H 0.56 . 2 967 . 103 VAL HG2 H 0.46 . 2 968 . 103 VAL C C 176.5 . 1 969 . 103 VAL CA C 65.9 . 1 970 . 103 VAL CB C 31.7 . 1 971 . 103 VAL CG1 C 22.4 . 2 972 . 103 VAL CG2 C 21.5 . 2 973 . 103 VAL N N 117.2 . 1 974 . 104 VAL H H 7.83 . 1 975 . 104 VAL HA H 3.43 . 1 976 . 104 VAL HB H 1.99 . 1 977 . 104 VAL HG1 H 0.98 . 1 978 . 104 VAL HG2 H 0.98 . 1 979 . 104 VAL C C 177.8 . 1 980 . 104 VAL CA C 67.5 . 1 981 . 104 VAL CB C 31.6 . 1 982 . 104 VAL CG1 C 23.8 . 1 983 . 104 VAL CG2 C 23.8 . 1 984 . 104 VAL N N 119.6 . 1 985 . 105 LYS H H 8.98 . 1 986 . 105 LYS HA H 3.71 . 1 987 . 105 LYS HB2 H 1.74 . 1 988 . 105 LYS HB3 H 1.74 . 1 989 . 105 LYS HG2 H 1.42 . 1 990 . 105 LYS HG3 H 1.42 . 1 991 . 105 LYS HD2 H 1.56 . 1 992 . 105 LYS HD3 H 1.56 . 1 993 . 105 LYS HE2 H 2.87 . 1 994 . 105 LYS HE3 H 2.87 . 1 995 . 105 LYS C C 179.2 . 1 996 . 105 LYS CA C 60.2 . 1 997 . 105 LYS CB C 32.6 . 1 998 . 105 LYS CG C 26.0 . 1 999 . 105 LYS CD C 29.5 . 1 1000 . 105 LYS CE C 42.1 . 1 1001 . 105 LYS N N 120.2 . 1 1002 . 106 GLY H H 7.73 . 1 1003 . 106 GLY HA2 H 3.80 . 2 1004 . 106 GLY HA3 H 3.38 . 2 1005 . 106 GLY C C 175.6 . 1 1006 . 106 GLY CA C 46.5 . 1 1007 . 106 GLY N N 108.2 . 1 1008 . 107 ILE H H 7.78 . 1 1009 . 107 ILE HA H 3.29 . 1 1010 . 107 ILE HB H 1.48 . 1 1011 . 107 ILE HG12 H 1.91 . 2 1012 . 107 ILE HG13 H 0.65 . 2 1013 . 107 ILE HG2 H -0.20 . 1 1014 . 107 ILE HD1 H 0.93 . 1 1015 . 107 ILE C C 178.2 . 1 1016 . 107 ILE CA C 66.1 . 1 1017 . 107 ILE CB C 37.8 . 1 1018 . 107 ILE CG1 C 29.7 . 1 1019 . 107 ILE CG2 C 16.8 . 1 1020 . 107 ILE CD1 C 14.0 . 1 1021 . 107 ILE N N 125.1 . 1 1022 . 108 VAL H H 8.43 . 1 1023 . 108 VAL HA H 3.17 . 1 1024 . 108 VAL HB H 2.15 . 1 1025 . 108 VAL HG1 H 0.97 . 2 1026 . 108 VAL HG2 H 0.71 . 2 1027 . 108 VAL C C 177.9 . 1 1028 . 108 VAL CA C 67.2 . 1 1029 . 108 VAL CB C 31.3 . 1 1030 . 108 VAL CG1 C 24.4 . 2 1031 . 108 VAL CG2 C 20.1 . 2 1032 . 108 VAL N N 122.8 . 1 1033 . 109 GLY H H 7.90 . 1 1034 . 109 GLY HA2 H 3.86 . 2 1035 . 109 GLY HA3 H 3.79 . 2 1036 . 109 GLY C C 175.4 . 1 1037 . 109 GLY CA C 46.8 . 1 1038 . 109 GLY N N 103.6 . 1 1039 . 110 MET H H 7.28 . 1 1040 . 110 MET HA H 4.11 . 1 1041 . 110 MET HB2 H 1.80 . 2 1042 . 110 MET HB3 H 1.37 . 2 1043 . 110 MET HG2 H 2.42 . 2 1044 . 110 MET HG3 H 2.32 . 2 1045 . 110 MET C C 176.2 . 1 1046 . 110 MET CA C 56.9 . 1 1047 . 110 MET CB C 33.7 . 1 1048 . 110 MET CG C 33.0 . 1 1049 . 110 MET N N 117.4 . 1 1050 . 111 CYS H H 7.31 . 1 1051 . 111 CYS HA H 4.36 . 1 1052 . 111 CYS HB2 H 2.65 . 2 1053 . 111 CYS HB3 H 2.57 . 2 1054 . 111 CYS C C 174.1 . 1 1055 . 111 CYS CA C 58.4 . 1 1056 . 111 CYS CB C 29.3 . 1 1057 . 111 CYS N N 114.4 . 1 1058 . 112 ASP H H 7.88 . 1 1059 . 112 ASP HA H 4.43 . 1 1060 . 112 ASP HB2 H 2.71 . 2 1061 . 112 ASP HB3 H 2.64 . 2 1062 . 112 ASP C C 176.9 . 1 1063 . 112 ASP CA C 54.4 . 1 1064 . 112 ASP CB C 40.2 . 1 1065 . 112 ASP N N 121.8 . 1 1066 . 113 LYS H H 8.74 . 1 1067 . 113 LYS HA H 4.30 . 1 1068 . 113 LYS HB2 H 1.94 . 1 1069 . 113 LYS HB3 H 1.94 . 1 1070 . 113 LYS HG2 H 1.53 . 1 1071 . 113 LYS HG3 H 1.53 . 1 1072 . 113 LYS HD2 H 1.70 . 1 1073 . 113 LYS HD3 H 1.70 . 1 1074 . 113 LYS HE2 H 3.02 . 1 1075 . 113 LYS HE3 H 3.02 . 1 1076 . 113 LYS C C 177.3 . 1 1077 . 113 LYS CA C 57.5 . 1 1078 . 113 LYS CB C 33.6 . 1 1079 . 113 LYS CG C 24.9 . 1 1080 . 113 LYS CD C 28.9 . 1 1081 . 113 LYS CE C 42.7 . 1 1082 . 113 LYS N N 129.4 . 1 1083 . 114 ASN H H 7.94 . 1 1084 . 114 ASN HA H 4.79 . 1 1085 . 114 ASN HB2 H 3.27 . 2 1086 . 114 ASN HB3 H 2.70 . 2 1087 . 114 ASN HD21 H 7.77 . 2 1088 . 114 ASN HD22 H 6.75 . 2 1089 . 114 ASN C C 174.3 . 1 1090 . 114 ASN CA C 52.0 . 1 1091 . 114 ASN CB C 36.6 . 1 1092 . 114 ASN N N 115.9 . 1 1093 . 114 ASN ND2 N 113.6 . 1 1094 . 115 ALA H H 7.69 . 1 1095 . 115 ALA HA H 3.97 . 1 1096 . 115 ALA HB H 1.30 . 1 1097 . 115 ALA C C 175.9 . 1 1098 . 115 ALA CA C 53.7 . 1 1099 . 115 ALA CB C 16.9 . 1 1100 . 115 ALA N N 120.3 . 1 1101 . 116 ASP H H 8.27 . 1 1102 . 116 ASP HA H 4.71 . 1 1103 . 116 ASP HB2 H 2.97 . 2 1104 . 116 ASP HB3 H 2.42 . 2 1105 . 116 ASP C C 178.5 . 1 1106 . 116 ASP CA C 53.0 . 1 1107 . 116 ASP CB C 41.1 . 1 1108 . 116 ASP N N 118.2 . 1 1109 . 117 GLY H H 10.27 . 1 1110 . 117 GLY HA2 H 3.99 . 1 1111 . 117 GLY HA3 H 3.39 . 1 1112 . 117 GLY C C 172.7 . 1 1113 . 117 GLY CA C 46.1 . 1 1114 . 117 GLY N N 114.3 . 1 1115 . 118 GLN H H 7.92 . 1 1116 . 118 GLN HA H 4.84 . 1 1117 . 118 GLN HB2 H 1.91 . 2 1118 . 118 GLN HB3 H 1.70 . 2 1119 . 118 GLN HG2 H 2.25 . 2 1120 . 118 GLN HG3 H 1.91 . 2 1121 . 118 GLN HE21 H 6.84 . 2 1122 . 118 GLN HE22 H 6.53 . 2 1123 . 118 GLN C C 174.9 . 1 1124 . 118 GLN CA C 52.8 . 1 1125 . 118 GLN CB C 31.6 . 1 1126 . 118 GLN CG C 32.9 . 1 1127 . 118 GLN N N 117.3 . 1 1128 . 118 GLN NE2 N 110.0 . 1 1129 . 119 ILE H H 8.93 . 1 1130 . 119 ILE HA H 5.50 . 1 1131 . 119 ILE HB H 2.34 . 1 1132 . 119 ILE HG12 H 1.59 . 1 1133 . 119 ILE HG13 H 1.59 . 1 1134 . 119 ILE HG2 H 1.43 . 1 1135 . 119 ILE HD1 H 0.93 . 1 1136 . 119 ILE C C 175.1 . 1 1137 . 119 ILE CA C 56.8 . 1 1138 . 119 ILE CB C 38.6 . 1 1139 . 119 ILE CG1 C 27.2 . 1 1140 . 119 ILE CG2 C 18.5 . 1 1141 . 119 ILE CD1 C 10.5 . 1 1142 . 119 ILE N N 127.0 . 1 1143 . 120 ASN H H 9.27 . 1 1144 . 120 ASN HA H 5.09 . 1 1145 . 120 ASN HB2 H 3.46 . 2 1146 . 120 ASN HB3 H 3.32 . 2 1147 . 120 ASN HD21 H 7.70 . 2 1148 . 120 ASN HD22 H 6.86 . 2 1149 . 120 ASN C C 176.0 . 1 1150 . 120 ASN CA C 51.8 . 1 1151 . 120 ASN CB C 38.4 . 1 1152 . 120 ASN N N 128.9 . 1 1153 . 120 ASN ND2 N 112.5 . 1 1154 . 121 ALA H H 8.42 . 1 1155 . 121 ALA HA H 3.35 . 1 1156 . 121 ALA HB H 0.69 . 1 1157 . 121 ALA C C 180.6 . 1 1158 . 121 ALA CA C 56.5 . 1 1159 . 121 ALA CB C 17.5 . 1 1160 . 121 ALA N N 121.2 . 1 1161 . 122 ASP H H 7.85 . 1 1162 . 122 ASP HA H 4.45 . 1 1163 . 122 ASP HB2 H 2.69 . 1 1164 . 122 ASP HB3 H 2.69 . 1 1165 . 122 ASP C C 179.8 . 1 1166 . 122 ASP CA C 57.5 . 1 1167 . 122 ASP CB C 41.1 . 1 1168 . 122 ASP N N 120.7 . 1 1169 . 123 GLU H H 8.77 . 1 1170 . 123 GLU HA H 4.23 . 1 1171 . 123 GLU HB2 H 2.60 . 2 1172 . 123 GLU HB3 H 2.25 . 2 1173 . 123 GLU HG2 H 2.87 . 2 1174 . 123 GLU HG3 H 2.60 . 2 1175 . 123 GLU C C 179.0 . 1 1176 . 123 GLU CA C 58.6 . 1 1177 . 123 GLU CB C 29.9 . 1 1178 . 123 GLU CG C 36.7 . 1 1179 . 123 GLU N N 124.1 . 1 1180 . 124 PHE H H 9.31 . 1 1181 . 124 PHE HA H 4.53 . 1 1182 . 124 PHE HB2 H 3.41 . 2 1183 . 124 PHE HB3 H 3.16 . 2 1184 . 124 PHE C C 177.4 . 1 1185 . 124 PHE CA C 60.7 . 1 1186 . 124 PHE CB C 40.0 . 1 1187 . 124 PHE N N 122.1 . 1 1188 . 125 ALA H H 8.16 . 1 1189 . 125 ALA HA H 3.84 . 1 1190 . 125 ALA HB H 1.55 . 1 1191 . 125 ALA C C 180.4 . 1 1192 . 125 ALA CA C 55.5 . 1 1193 . 125 ALA CB C 17.5 . 1 1194 . 125 ALA N N 120.5 . 1 1195 . 126 ALA H H 7.86 . 1 1196 . 126 ALA HA H 4.03 . 1 1197 . 126 ALA HB H 1.65 . 1 1198 . 126 ALA C C 179.3 . 1 1199 . 126 ALA CA C 55.6 . 1 1200 . 126 ALA CB C 17.9 . 1 1201 . 126 ALA N N 123.6 . 1 1202 . 127 TRP H H 7.82 . 1 1203 . 127 TRP HA H 4.48 . 1 1204 . 127 TRP HB2 H 3.73 . 2 1205 . 127 TRP HB3 H 3.62 . 2 1206 . 127 TRP C C 177.9 . 1 1207 . 127 TRP CA C 58.1 . 1 1208 . 127 TRP CB C 29.7 . 1 1209 . 127 TRP N N 122.4 . 1 1210 . 128 LEU H H 8.22 . 1 1211 . 128 LEU HA H 3.73 . 1 1212 . 128 LEU HB2 H 1.27 . 2 1213 . 128 LEU HB3 H 1.21 . 2 1214 . 128 LEU HG H 0.90 . 1 1215 . 128 LEU HD1 H -0.06 . 2 1216 . 128 LEU HD2 H 0.10 . 2 1217 . 128 LEU C C 180.7 . 1 1218 . 128 LEU CA C 58.6 . 1 1219 . 128 LEU CB C 40.3 . 1 1220 . 128 LEU CG C 28.3 . 1 1221 . 128 LEU CD1 C 24.2 . 2 1222 . 128 LEU CD2 C 23.0 . 2 1223 . 128 LEU N N 117.9 . 1 1224 . 129 THR H H 8.44 . 1 1225 . 129 THR HA H 4.53 . 1 1226 . 129 THR HB H 4.19 . 1 1227 . 129 THR HG2 H 1.23 . 1 1228 . 129 THR C C 179.2 . 1 1229 . 129 THR CA C 65.2 . 1 1230 . 129 THR CB C 69.2 . 1 1231 . 129 THR CG2 C 20.9 . 1 1232 . 129 THR N N 113.3 . 1 1233 . 130 ALA H H 7.68 . 1 1234 . 130 ALA HA H 4.04 . 1 1235 . 130 ALA HB H 1.14 . 1 1236 . 130 ALA C C 178.8 . 1 1237 . 130 ALA CA C 55.0 . 1 1238 . 130 ALA CB C 17.7 . 1 1239 . 130 ALA N N 127.9 . 1 1240 . 131 LEU H H 7.06 . 1 1241 . 131 LEU HA H 4.33 . 1 1242 . 131 LEU HB2 H 1.80 . 1 1243 . 131 LEU HB3 H 1.80 . 1 1244 . 131 LEU HG H 2.01 . 1 1245 . 131 LEU HD1 H 0.92 . 2 1246 . 131 LEU HD2 H 0.69 . 2 1247 . 131 LEU C C 177.3 . 1 1248 . 131 LEU CA C 54.4 . 1 1249 . 131 LEU CB C 41.5 . 1 1250 . 131 LEU CG C 26.4 . 1 1251 . 131 LEU CD1 C 26.1 . 2 1252 . 131 LEU CD2 C 21.9 . 2 1253 . 131 LEU N N 114.8 . 1 1254 . 132 GLY H H 7.59 . 1 1255 . 132 GLY HA2 H 4.30 . 2 1256 . 132 GLY HA3 H 3.74 . 2 1257 . 132 GLY C C 174.9 . 1 1258 . 132 GLY CA C 45.8 . 1 1259 . 132 GLY N N 107.2 . 1 1260 . 133 MET H H 7.93 . 1 1261 . 133 MET HA H 4.51 . 1 1262 . 133 MET HB2 H 1.98 . 2 1263 . 133 MET HB3 H 1.60 . 2 1264 . 133 MET HG2 H 2.57 . 2 1265 . 133 MET HG3 H 2.34 . 2 1266 . 133 MET C C 175.1 . 1 1267 . 133 MET CA C 55.3 . 1 1268 . 133 MET CB C 34.4 . 1 1269 . 133 MET CG C 33.3 . 1 1270 . 133 MET N N 121.4 . 1 1271 . 134 SER H H 8.62 . 1 1272 . 134 SER HA H 4.59 . 1 1273 . 134 SER HB2 H 4.26 . 2 1274 . 134 SER HB3 H 3.96 . 2 1275 . 134 SER C C 175.4 . 1 1276 . 134 SER CA C 57.4 . 1 1277 . 134 SER CB C 65.8 . 1 1278 . 134 SER N N 116.9 . 1 1279 . 135 LYS H H 8.68 . 1 1280 . 135 LYS HA H 3.85 . 1 1281 . 135 LYS HB2 H 1.82 . 1 1282 . 135 LYS HB3 H 1.82 . 1 1283 . 135 LYS HG2 H 1.51 . 2 1284 . 135 LYS HG3 H 1.38 . 2 1285 . 135 LYS HD2 H 1.67 . 1 1286 . 135 LYS HD3 H 1.67 . 1 1287 . 135 LYS HE2 H 2.96 . 1 1288 . 135 LYS HE3 H 2.96 . 1 1289 . 135 LYS C C 178.9 . 1 1290 . 135 LYS CA C 60.0 . 1 1291 . 135 LYS CB C 32.2 . 1 1292 . 135 LYS CG C 25.8 . 1 1293 . 135 LYS CD C 29.3 . 1 1294 . 135 LYS CE C 42.1 . 1 1295 . 135 LYS N N 122.7 . 1 1296 . 136 ALA H H 8.20 . 1 1297 . 136 ALA HA H 4.17 . 1 1298 . 136 ALA HB H 1.39 . 1 1299 . 136 ALA C C 180.4 . 1 1300 . 136 ALA CA C 54.9 . 1 1301 . 136 ALA CB C 18.3 . 1 1302 . 136 ALA N N 122.9 . 1 1303 . 137 GLU H H 7.77 . 1 1304 . 137 GLU HA H 4.06 . 1 1305 . 137 GLU HB2 H 2.19 . 1 1306 . 137 GLU HB3 H 2.19 . 1 1307 . 137 GLU HG2 H 2.24 . 1 1308 . 137 GLU HG3 H 2.24 . 1 1309 . 137 GLU C C 179.0 . 1 1310 . 137 GLU CA C 58.6 . 1 1311 . 137 GLU CB C 29.8 . 1 1312 . 137 GLU CG C 37.2 . 1 1313 . 137 GLU N N 119.7 . 1 1314 . 138 ALA H H 8.07 . 1 1315 . 138 ALA HA H 4.02 . 1 1316 . 138 ALA HB H 1.40 . 1 1317 . 138 ALA C C 178.6 . 1 1318 . 138 ALA CA C 55.0 . 1 1319 . 138 ALA CB C 18.2 . 1 1320 . 138 ALA N N 123.1 . 1 1321 . 139 ALA H H 8.02 . 1 1322 . 139 ALA HA H 4.19 . 1 1323 . 139 ALA HB H 1.48 . 1 1324 . 139 ALA C C 180.4 . 1 1325 . 139 ALA CA C 55.1 . 1 1326 . 139 ALA CB C 18.1 . 1 1327 . 139 ALA N N 121.2 . 1 1328 . 140 GLU H H 7.60 . 1 1329 . 140 GLU HA H 4.16 . 1 1330 . 140 GLU HB2 H 2.05 . 1 1331 . 140 GLU HB3 H 2.05 . 1 1332 . 140 GLU HG2 H 2.35 . 2 1333 . 140 GLU HG3 H 2.28 . 2 1334 . 140 GLU C C 179.1 . 1 1335 . 140 GLU CA C 58.8 . 1 1336 . 140 GLU CB C 29.8 . 1 1337 . 140 GLU CG C 36.1 . 1 1338 . 140 GLU N N 118.5 . 1 1339 . 141 ALA H H 8.09 . 1 1340 . 141 ALA HA H 4.19 . 1 1341 . 141 ALA HB H 1.50 . 1 1342 . 141 ALA C C 178.9 . 1 1343 . 141 ALA CA C 54.7 . 1 1344 . 141 ALA CB C 18.5 . 1 1345 . 141 ALA N N 122.0 . 1 1346 . 142 PHE H H 8.60 . 1 1347 . 142 PHE HA H 3.30 . 1 1348 . 142 PHE HB2 H 3.17 . 2 1349 . 142 PHE HB3 H 3.13 . 2 1350 . 142 PHE C C 176.7 . 1 1351 . 142 PHE CA C 62.7 . 1 1352 . 142 PHE CB C 39.3 . 1 1353 . 142 PHE N N 120.3 . 1 1354 . 143 ASN H H 7.45 . 1 1355 . 143 ASN HA H 4.34 . 1 1356 . 143 ASN HB2 H 2.87 . 1 1357 . 143 ASN HB3 H 2.87 . 1 1358 . 143 ASN HD21 H 7.62 . 2 1359 . 143 ASN HD22 H 6.83 . 2 1360 . 143 ASN C C 176.8 . 1 1361 . 143 ASN CA C 55.8 . 1 1362 . 143 ASN CB C 38.7 . 1 1363 . 143 ASN N N 114.3 . 1 1364 . 143 ASN ND2 N 113.3 . 1 1365 . 144 GLN H H 7.40 . 1 1366 . 144 GLN HA H 3.98 . 1 1367 . 144 GLN HB2 H 2.19 . 2 1368 . 144 GLN HB3 H 2.04 . 2 1369 . 144 GLN HG2 H 2.45 . 2 1370 . 144 GLN HG3 H 2.31 . 2 1371 . 144 GLN HE21 H 7.30 . 2 1372 . 144 GLN HE22 H 6.68 . 2 1373 . 144 GLN C C 177.2 . 1 1374 . 144 GLN CA C 58.0 . 1 1375 . 144 GLN CB C 29.2 . 1 1376 . 144 GLN CG C 34.2 . 1 1377 . 144 GLN N N 117.4 . 1 1378 . 144 GLN NE2 N 111.8 . 1 1379 . 145 VAL H H 7.49 . 1 1380 . 145 VAL HA H 3.72 . 1 1381 . 145 VAL HB H 1.54 . 1 1382 . 145 VAL HG1 H 0.70 . 2 1383 . 145 VAL HG2 H 0.76 . 2 1384 . 145 VAL C C 176.5 . 1 1385 . 145 VAL CA C 63.5 . 1 1386 . 145 VAL CB C 31.6 . 1 1387 . 145 VAL CG1 C 23.7 . 2 1388 . 145 VAL CG2 C 22.4 . 2 1389 . 145 VAL N N 117.9 . 1 1390 . 146 ASP H H 7.38 . 1 1391 . 146 ASP HA H 4.34 . 1 1392 . 146 ASP HB2 H 2.49 . 2 1393 . 146 ASP HB3 H 1.65 . 2 1394 . 146 ASP C C 177.5 . 1 1395 . 146 ASP CA C 52.6 . 1 1396 . 146 ASP CB C 38.6 . 1 1397 . 146 ASP N N 120.1 . 1 1398 . 147 THR H H 8.28 . 1 1399 . 147 THR HA H 3.86 . 1 1400 . 147 THR HB H 4.16 . 1 1401 . 147 THR HG2 H 1.23 . 1 1402 . 147 THR C C 176.2 . 1 1403 . 147 THR CA C 65.5 . 1 1404 . 147 THR CB C 68.9 . 1 1405 . 147 THR CG2 C 22.6 . 1 1406 . 147 THR N N 121.7 . 1 1407 . 148 ASN H H 7.70 . 1 1408 . 148 ASN HA H 4.81 . 1 1409 . 148 ASN HB2 H 3.31 . 2 1410 . 148 ASN HB3 H 2.86 . 2 1411 . 148 ASN HD21 H 7.87 . 2 1412 . 148 ASN HD22 H 6.35 . 2 1413 . 148 ASN C C 176.7 . 1 1414 . 148 ASN CA C 51.6 . 1 1415 . 148 ASN CB C 37.1 . 1 1416 . 148 ASN N N 115.6 . 1 1417 . 148 ASN ND2 N 113.3 . 1 1418 . 149 GLY H H 7.73 . 1 1419 . 149 GLY HA2 H 3.78 . 1 1420 . 149 GLY HA3 H 3.78 . 1 1421 . 149 GLY C C 174.7 . 1 1422 . 149 GLY CA C 47.6 . 1 1423 . 149 GLY N N 109.4 . 1 1424 . 150 ASN H H 7.88 . 1 1425 . 150 ASN HA H 4.75 . 1 1426 . 150 ASN HB2 H 3.32 . 2 1427 . 150 ASN HB3 H 2.51 . 2 1428 . 150 ASN HD21 H 7.96 . 2 1429 . 150 ASN HD22 H 7.11 . 2 1430 . 150 ASN C C 176.6 . 1 1431 . 150 ASN CA C 52.2 . 1 1432 . 150 ASN CB C 38.4 . 1 1433 . 150 ASN N N 118.4 . 1 1434 . 150 ASN ND2 N 115.6 . 1 1435 . 151 GLY H H 10.64 . 1 1436 . 151 GLY HA2 H 4.20 . 2 1437 . 151 GLY HA3 H 3.66 . 2 1438 . 151 GLY C C 172.9 . 1 1439 . 151 GLY CA C 46.0 . 1 1440 . 151 GLY N N 114.6 . 1 1441 . 152 GLU H H 7.32 . 1 1442 . 152 GLU HA H 4.89 . 1 1443 . 152 GLU HB2 H 1.69 . 2 1444 . 152 GLU HB3 H 1.27 . 2 1445 . 152 GLU HG2 H 2.10 . 2 1446 . 152 GLU HG3 H 1.97 . 2 1447 . 152 GLU C C 175.1 . 1 1448 . 152 GLU CA C 53.7 . 1 1449 . 152 GLU CB C 33.8 . 1 1450 . 152 GLU CG C 33.2 . 1 1451 . 152 GLU N N 117.7 . 1 1452 . 153 LEU H H 10.10 . 1 1453 . 153 LEU HA H 5.34 . 1 1454 . 153 LEU HB2 H 1.94 . 2 1455 . 153 LEU HB3 H 0.83 . 2 1456 . 153 LEU HG H 1.41 . 1 1457 . 153 LEU HD1 H -0.21 . 2 1458 . 153 LEU HD2 H -0.28 . 2 1459 . 153 LEU C C 176.3 . 1 1460 . 153 LEU CA C 52.8 . 1 1461 . 153 LEU CB C 40.6 . 1 1462 . 153 LEU CG C 25.4 . 1 1463 . 153 LEU CD1 C 25.6 . 2 1464 . 153 LEU CD2 C 21.7 . 2 1465 . 153 LEU N N 126.9 . 1 1466 . 154 SER H H 8.41 . 1 1467 . 154 SER HA H 4.74 . 1 1468 . 154 SER HB2 H 4.35 . 2 1469 . 154 SER HB3 H 3.88 . 2 1470 . 154 SER C C 175.9 . 1 1471 . 154 SER CA C 55.7 . 1 1472 . 154 SER CB C 65.8 . 1 1473 . 154 SER N N 119.8 . 1 1474 . 155 LEU H H 9.02 . 1 1475 . 155 LEU HA H 4.02 . 1 1476 . 155 LEU HB2 H 1.99 . 2 1477 . 155 LEU HB3 H 1.69 . 2 1478 . 155 LEU HD1 H 0.85 . 2 1479 . 155 LEU HD2 H 0.79 . 2 1480 . 155 LEU C C 178.2 . 1 1481 . 155 LEU CA C 58.8 . 1 1482 . 155 LEU CB C 41.6 . 1 1483 . 155 LEU CG C 27.2 . 1 1484 . 155 LEU CD1 C 25.2 . 2 1485 . 155 LEU CD2 C 24.0 . 2 1486 . 155 LEU N N 122.9 . 1 1487 . 156 ASP H H 8.31 . 1 1488 . 156 ASP HA H 4.30 . 1 1489 . 156 ASP HB2 H 2.65 . 2 1490 . 156 ASP HB3 H 2.51 . 2 1491 . 156 ASP C C 179.2 . 1 1492 . 156 ASP CA C 57.5 . 1 1493 . 156 ASP CB C 40.3 . 1 1494 . 156 ASP N N 115.7 . 1 1495 . 157 GLU H H 7.54 . 1 1496 . 157 GLU HA H 4.04 . 1 1497 . 157 GLU HB2 H 2.36 . 1 1498 . 157 GLU HB3 H 2.36 . 1 1499 . 157 GLU C C 180.5 . 1 1500 . 157 GLU CA C 58.9 . 1 1501 . 157 GLU CB C 28.9 . 1 1502 . 157 GLU CG C 36.4 . 1 1503 . 157 GLU N N 122.4 . 1 1504 . 158 LEU H H 8.31 . 1 1505 . 158 LEU HA H 3.90 . 1 1506 . 158 LEU HB2 H 2.05 . 2 1507 . 158 LEU HB3 H 1.21 . 2 1508 . 158 LEU HG H 1.57 . 1 1509 . 158 LEU HD1 H 0.82 . 2 1510 . 158 LEU HD2 H 0.69 . 2 1511 . 158 LEU C C 178.4 . 9 1512 . 158 LEU CA C 58.4 . 1 1513 . 158 LEU CB C 42.8 . 1 1514 . 158 LEU CG C 27.0 . 1 1515 . 158 LEU CD1 C 26.4 . 2 1516 . 158 LEU CD2 C 23.7 . 2 1517 . 158 LEU N N 122.9 . 1 1518 . 159 LEU H H 8.79 . 1 1519 . 159 LEU HA H 4.05 . 1 1520 . 159 LEU HB2 H 1.95 . 1 1521 . 159 LEU HB3 H 1.95 . 1 1522 . 159 LEU C C 179.7 . 1 1523 . 159 LEU CA C 58.9 . 1 1524 . 159 LEU CB C 41.5 . 1 1525 . 159 LEU N N 121.2 . 1 1526 . 160 THR H H 8.01 . 1 1527 . 160 THR HA H 3.84 . 1 1528 . 160 THR HB H 4.16 . 1 1529 . 160 THR HG2 H 1.20 . 1 1530 . 160 THR C C 175.4 . 1 1531 . 160 THR CA C 67.0 . 1 1532 . 160 THR CB C 68.8 . 1 1533 . 160 THR CG2 C 22.2 . 1 1534 . 160 THR N N 117.5 . 1 1535 . 161 ALA H H 7.78 . 1 1536 . 161 ALA HA H 4.18 . 1 1537 . 161 ALA HB H 1.48 . 1 1538 . 161 ALA C C 179.9 . 1 1539 . 161 ALA CA C 55.3 . 1 1540 . 161 ALA CB C 19.0 . 1 1541 . 161 ALA N N 124.6 . 1 1542 . 162 VAL H H 8.23 . 1 1543 . 162 VAL HA H 3.87 . 1 1544 . 162 VAL HB H 2.50 . 1 1545 . 162 VAL HG1 H 1.22 . 1 1546 . 162 VAL HG2 H 1.22 . 1 1547 . 162 VAL CA C 66.7 . 1 1548 . 162 VAL CB C 31.9 . 1 1549 . 162 VAL CG1 C 23.2 . 2 1550 . 162 VAL CG2 C 22.5 . 2 1551 . 162 VAL N N 119.7 . 1 1552 . 165 PHE HA H 4.51 . 1 1553 . 165 PHE HB2 H 2.85 . 2 1554 . 165 PHE HB3 H 2.36 . 2 1555 . 165 PHE CA C 57.8 . 1 1556 . 165 PHE CB C 40.2 . 1 1557 . 167 PHE HA H 4.62 . 1 1558 . 167 PHE HB2 H 3.33 . 2 1559 . 167 PHE HB3 H 2.97 . 2 1560 . 167 PHE C C 176.4 . 1 1561 . 167 PHE CA C 58.1 . 1 1562 . 167 PHE CB C 40.3 . 1 1563 . 168 GLY H H 7.67 . 1 1564 . 168 GLY HA2 H 4.13 . 2 1565 . 168 GLY HA3 H 3.61 . 2 1566 . 168 GLY C C 174.1 . 1 1567 . 168 GLY CA C 45.6 . 1 1568 . 168 GLY N N 107.2 . 1 1569 . 169 ARG H H 7.90 . 1 1570 . 169 ARG HA H 4.23 . 1 1571 . 169 ARG HB2 H 1.88 . 2 1572 . 169 ARG HB3 H 1.59 . 2 1573 . 169 ARG HG2 H 1.53 . 1 1574 . 169 ARG HG3 H 1.53 . 1 1575 . 169 ARG HD2 H 3.11 . 1 1576 . 169 ARG HD3 H 3.11 . 1 1577 . 169 ARG C C 174.7 . 1 1578 . 169 ARG CA C 57.1 . 1 1579 . 169 ARG CB C 31.6 . 1 1580 . 169 ARG CG C 28.0 . 1 1581 . 169 ARG CD C 43.4 . 1 1582 . 169 ARG N N 119.2 . 1 1583 . 170 LEU H H 7.07 . 1 1584 . 170 LEU HA H 4.52 . 1 1585 . 170 LEU HB2 H 1.54 . 9 1586 . 170 LEU HB3 H 1.54 . 9 1587 . 170 LEU HG H 1.58 . 9 1588 . 170 LEU HD1 H 0.95 . 1 1589 . 170 LEU HD2 H 0.95 . 1 1590 . 170 LEU C C 176.1 . 1 1591 . 170 LEU CA C 54.1 . 1 1592 . 170 LEU CB C 45.9 . 1 1593 . 170 LEU CG C 28.1 . 1 1594 . 170 LEU CD1 C 25.7 . 1 1595 . 170 LEU CD2 C 25.7 . 1 1596 . 170 LEU N N 118.0 . 1 1597 . 171 ASP H H 8.88 . 1 1598 . 171 ASP HA H 4.90 . 1 1599 . 171 ASP HB2 H 2.85 . 2 1600 . 171 ASP HB3 H 2.49 . 2 1601 . 171 ASP C C 175.1 . 1 1602 . 171 ASP CA C 54.3 . 1 1603 . 171 ASP CB C 41.4 . 1 1604 . 171 ASP N N 123.3 . 1 1605 . 172 VAL H H 6.75 . 1 1606 . 172 VAL HA H 3.99 . 1 1607 . 172 VAL HB H 1.65 . 1 1608 . 172 VAL HG1 H 0.64 . 2 1609 . 172 VAL HG2 H 0.73 . 2 1610 . 172 VAL C C 178.5 . 1 1611 . 172 VAL CA C 61.2 . 1 1612 . 172 VAL CB C 33.0 . 1 1613 . 172 VAL CG1 C 21.3 . 2 1614 . 172 VAL CG2 C 20.6 . 2 1615 . 172 VAL N N 118.2 . 1 1616 . 173 GLU H H 9.22 . 1 1617 . 173 GLU CA C 57.8 . 1 1618 . 173 GLU N N 121.1 . 1 1619 . 176 GLY H H 7.48 . 1 1620 . 176 GLY HA2 H 4.03 . 2 1621 . 176 GLY HA3 H 3.62 . 2 1622 . 176 GLY CA C 46.8 . 1 1623 . 176 GLY N N 112.0 . 1 stop_ save_