data_6025 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N resonance assignments of the cytokine LECT2 ; _BMRB_accession_number 6025 _BMRB_flat_file_name bmr6025.str _Entry_type original _Submission_date 2003-11-28 _Accession_date 2003-12-01 _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 Ito Mie . . 2 Nagata Koji . . 3 Yamagoe Satoshi . . 4 Suzuki Kazuo . . 5 Tanokura Masaru . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 215 "13C chemical shifts" 334 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-03-07 original author 'Original release' 2004-03-23 update author 'Chemical shift table update' 2004-03-29 update author 'Chemical shift table update' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Letter to the Editor: 1H, 13C, 15N resonance assignments of the cytokine LECT2' _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 Ito Mie . . 2 Nagata Koji . . 3 Yumoto Fumiaki . . 4 Yamagoe Satoshi . . 5 Suzuki Kazuo . . 6 Adachi Kyoko . . 7 Tanokura Masaru . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 24 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 543 _Page_last 544 _Year 2004 _Details . loop_ _Keyword cytokine LECT2 'resonance assignments' stop_ save_ ################################## # Molecular system description # ################################## save_system_LECT2 _Saveframe_category molecular_system _Mol_system_name 'leukocyte cell-derived chemotaxin 2' _Abbreviation_common LECT2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label LECT2 $LECT2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' loop_ _Biological_function 'a chemotactic factor to human neutrophils' stop_ _Database_query_date . _Details 'not determined disulfide bounded formation' save_ ######################## # Monomeric polymers # ######################## save_LECT2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'leukocyte cell-derived chemotaxin 2' _Abbreviation_common LECT2 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; MHHHHHHGPWANICAGKSSN EIRTCDRHGCGQYSAQRSQR PHQGVDVLCSAGSTVYAPFT GMIVGQEKPYQNKNAINNGV RISGRGFCVKMFYIKPIKYK GPIKKGEKLGTLLPLQKVYP GIQSHVHIENCDSSDPTAYL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -8 MET 2 -7 HIS 3 -6 HIS 4 -5 HIS 5 -4 HIS 6 -3 HIS 7 -2 HIS 8 19 GLY 9 20 PRO 10 21 TRP 11 22 ALA 12 23 ASN 13 24 ILE 14 25 CYS 15 26 ALA 16 27 GLY 17 28 LYS 18 29 SER 19 30 SER 20 31 ASN 21 32 GLU 22 33 ILE 23 34 ARG 24 35 THR 25 36 CYS 26 37 ASP 27 38 ARG 28 39 HIS 29 40 GLY 30 41 CYS 31 42 GLY 32 43 GLN 33 44 TYR 34 45 SER 35 46 ALA 36 47 GLN 37 48 ARG 38 49 SER 39 50 GLN 40 51 ARG 41 52 PRO 42 53 HIS 43 54 GLN 44 55 GLY 45 56 VAL 46 57 ASP 47 58 VAL 48 59 LEU 49 60 CYS 50 61 SER 51 62 ALA 52 63 GLY 53 64 SER 54 65 THR 55 66 VAL 56 67 TYR 57 68 ALA 58 69 PRO 59 70 PHE 60 71 THR 61 72 GLY 62 73 MET 63 74 ILE 64 75 VAL 65 76 GLY 66 77 GLN 67 78 GLU 68 79 LYS 69 80 PRO 70 81 TYR 71 82 GLN 72 83 ASN 73 84 LYS 74 85 ASN 75 86 ALA 76 87 ILE 77 88 ASN 78 89 ASN 79 90 GLY 80 91 VAL 81 92 ARG 82 93 ILE 83 94 SER 84 95 GLY 85 96 ARG 86 97 GLY 87 98 PHE 88 99 CYS 89 100 VAL 90 101 LYS 91 102 MET 92 103 PHE 93 104 TYR 94 105 ILE 95 106 LYS 96 107 PRO 97 108 ILE 98 109 LYS 99 110 TYR 100 111 LYS 101 112 GLY 102 113 PRO 103 114 ILE 104 115 LYS 105 116 LYS 106 117 GLY 107 118 GLU 108 119 LYS 109 120 LEU 110 121 GLY 111 122 THR 112 123 LEU 113 124 LEU 114 125 PRO 115 126 LEU 116 127 GLN 117 128 LYS 118 129 VAL 119 130 TYR 120 131 PRO 121 132 GLY 122 133 ILE 123 134 GLN 124 135 SER 125 136 HIS 126 137 VAL 127 138 HIS 128 139 ILE 129 140 GLU 130 141 ASN 131 142 CYS 132 143 ASP 133 144 SER 134 145 SER 135 146 ASP 136 147 PRO 137 148 THR 138 149 ALA 139 150 TYR 140 151 LEU 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 DBJ BAA23609 "LECT2 precursor [Homo sapiens]" 95.00 151 100.00 100.00 4.94e-94 DBJ BAA25669 "LECT2 [Homo sapiens]" 95.00 151 100.00 100.00 4.94e-94 DBJ BAG36787 "unnamed protein product [Homo sapiens]" 95.00 151 100.00 100.00 4.94e-94 DBJ BAJ20851 "leukocyte cell-derived chemotaxin 2 [synthetic construct]" 95.00 151 100.00 100.00 4.94e-94 GB AAB66905 "similar to chicken myeloid protein-1 precursor; 60% similarity to P08940 (PID:g127095) [Homo sapiens]" 95.00 151 99.25 100.00 7.82e-94 GB AAC17734 "LECT2 [Homo sapiens]" 95.00 151 100.00 100.00 4.94e-94 GB AAH93670 "Leukocyte cell-derived chemotaxin 2 [Homo sapiens]" 95.00 151 100.00 100.00 4.94e-94 GB AAI01580 "Leukocyte cell-derived chemotaxin 2 [Homo sapiens]" 95.00 151 100.00 100.00 4.94e-94 GB AIC54696 "LECT2, partial [synthetic construct]" 95.00 151 100.00 100.00 4.94e-94 REF NP_001181813 "leukocyte cell-derived chemotaxin-2 precursor [Macaca mulatta]" 95.00 151 97.74 99.25 1.28e-92 REF NP_002293 "leukocyte cell-derived chemotaxin-2 precursor [Homo sapiens]" 95.00 151 99.25 100.00 7.82e-94 REF XP_002744226 "PREDICTED: leukocyte cell-derived chemotaxin-2 [Callithrix jacchus]" 95.00 151 96.99 98.50 3.21e-91 REF XP_002815956 "PREDICTED: leukocyte cell-derived chemotaxin-2 [Pongo abelii]" 95.00 151 100.00 100.00 4.94e-94 REF XP_003266460 "PREDICTED: leukocyte cell-derived chemotaxin-2 [Nomascus leucogenys]" 95.00 151 98.50 99.25 6.22e-93 SP O14960 "RecName: Full=Leukocyte cell-derived chemotaxin-2; Short=LECT-2; Short=hLECT2; Flags: Precursor [Homo sapiens]" 95.00 151 99.25 100.00 7.82e-94 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $LECT2 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_type _Vector_name $LECT2 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) plasmid pET-21a 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 $LECT2 1.2 mM [U-15N] glycerol 5 % . Na2SO4 50 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $LECT2 0.8 mM '[U-13C; U-15N]' glycerol 5 % . Na2SO4 50 mM . stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Saveframe_category software _Name NMRPipe _Version 1.7 _Details . save_ save_P-ROI _Saveframe_category software _Name P-ROI _Version 1.0 loop_ _Task 'Spectral analysis on Papers' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.76 _Details . save_ save_CSI _Saveframe_category software _Name CSI _Version 1 loop_ _Task 'prediction secondary structure' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_1H-1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H-15N NOESY' _Sample_label . save_ save_1H-1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H-15N TOCSY' _Sample_label . save_ save_1H-13C-1H_DE-H(C)CH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C-1H DE-H(C)CH-TOCSY' _Sample_label . save_ save_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCANH_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_(HCA)CO(CA)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _Sample_label . save_ save_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label . save_ save_C(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C-1H DE-H(C)CH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name (HCA)CO(CA)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 n/a temperature 298 0.1 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 DSS C 13 'methyl proton' ppm 0.0 internal indirect . . . 0.251449530 DSS H 1 'methyl proton' ppm 0.0 internal direct . . . 1 DSS N 15 'methyl proton' ppm 0.0 internal 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name LECT2 _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 . 9 PRO HA H 4.184 0 1 2 . 9 PRO C C 174.148 0 1 3 . 9 PRO CA C 63.868 0.02 1 4 . 9 PRO CB C 31.12 0 1 5 . 10 TRP H H 6.364 0.012 1 6 . 10 TRP C C 176.637 0 1 7 . 10 TRP CA C 54.757 0.096 1 8 . 10 TRP CB C 30.627 0.059 1 9 . 10 TRP N N 108.737 0.082 1 10 . 11 ALA H H 9.019 0.01 1 11 . 11 ALA HA H 3.867 0 1 12 . 11 ALA C C 176.738 0 1 13 . 11 ALA CA C 51.54 0.048 1 14 . 11 ALA CB C 19.585 0.087 1 15 . 11 ALA N N 121.703 0.056 1 16 . 12 ASN H H 7.981 0.006 1 17 . 12 ASN HA H 4.694 0 1 18 . 12 ASN C C 177.635 0 1 19 . 12 ASN CA C 54.301 0.056 1 20 . 12 ASN CB C 38.486 0 1 21 . 12 ASN N N 115.876 0.08 1 22 . 13 ILE H H 8.051 0.004 1 23 . 13 ILE HA H 4.214 0.049 1 24 . 13 ILE C C 175.812 0 1 25 . 13 ILE CA C 61.534 0.093 1 26 . 13 ILE CB C 39.209 0 1 27 . 13 ILE N N 119.516 0.042 1 28 . 14 CYS H H 8.401 0.004 1 29 . 14 CYS HA H 4.692 0 1 30 . 14 CYS C C 174.298 0 1 31 . 14 CYS CA C 55.535 0.093 1 32 . 14 CYS CB C 39.605 0 1 33 . 14 CYS N N 122.536 0.084 1 34 . 15 ALA H H 8.233 0.008 1 35 . 15 ALA HA H 3.812 0 1 36 . 15 ALA C C 177.548 0 1 37 . 15 ALA CA C 54.599 0.058 1 38 . 15 ALA CB C 19.615 0.055 1 39 . 15 ALA N N 130.658 0.095 1 40 . 16 GLY H H 8.667 0.005 1 41 . 16 GLY HA2 H 4.334 0 1 42 . 16 GLY HA3 H 3.866 0 1 43 . 16 GLY C C 174.403 0 1 44 . 16 GLY CA C 45.597 0.066 1 45 . 16 GLY N N 109.515 0.073 1 46 . 17 LYS H H 7.607 0.003 1 47 . 17 LYS C C 176.916 0 1 48 . 17 LYS CA C 53.981 0.055 1 49 . 17 LYS CB C 34.099 0.056 1 50 . 17 LYS N N 118.926 0.077 1 51 . 18 SER H H 8.934 0.007 1 52 . 18 SER C C 176.916 0 1 53 . 18 SER CA C 58.802 0.013 1 54 . 18 SER CB C 64.161 0 1 55 . 18 SER N N 115.741 0.043 1 56 . 19 SER H H 8.935 0 1 57 . 19 SER HA H 4.511 0 1 58 . 19 SER C C 174.459 0 1 59 . 19 SER CA C 58.922 0.039 1 60 . 19 SER CB C 64.009 0.049 1 61 . 19 SER N N 115.741 0 1 62 . 20 ASN H H 8.435 0.006 1 63 . 20 ASN HA H 4.765 0 1 64 . 20 ASN C C 175.09 0 1 65 . 20 ASN CA C 53.799 0.062 1 66 . 20 ASN CB C 39.123 0.088 1 67 . 20 ASN N N 120.339 0.096 1 68 . 21 GLU H H 8.223 0.005 1 69 . 21 GLU CA C 56.756 0.056 1 70 . 21 GLU CB C 30.949 0.043 1 71 . 21 GLU N N 120.829 0.078 1 72 . 22 ILE H H 8.435 0.003 1 73 . 22 ILE HA H 4.451 0 1 74 . 22 ILE C C 176.405 0 1 75 . 22 ILE CA C 56.499 0.011 1 76 . 22 ILE CB C 33.168 0 1 77 . 22 ILE N N 122.509 0.051 1 78 . 23 ARG H H 8.413 0.01 1 79 . 23 ARG CA C 56.684 0.07 1 80 . 23 ARG CB C 31.213 0.06 1 81 . 23 ARG N N 117.055 0.004 1 82 . 24 THR H H 8.272 0.008 1 83 . 24 THR HA H 4.366 0 1 84 . 24 THR CA C 62.178 0.074 1 85 . 24 THR CB C 70.222 0.084 1 86 . 24 THR N N 116.03 0.095 1 87 . 25 CYS H H 8.394 0.015 1 88 . 25 CYS HA H 4.861 0 1 89 . 25 CYS C C 173.824 0 1 90 . 25 CYS CA C 55.865 0.051 1 91 . 25 CYS CB C 38.757 0 1 92 . 25 CYS N N 125.872 0.069 1 93 . 26 ASP H H 8.004 0.004 1 94 . 26 ASP N N 124.771 0.072 1 95 . 27 ARG C C 175.443 0 1 96 . 27 ARG CA C 56.268 0.071 1 97 . 27 ARG CB C 29.982 0.038 1 98 . 28 HIS H H 8.284 0.07 1 99 . 28 HIS HA H 4.366 0.047 1 100 . 28 HIS C C 176.127 0 1 101 . 28 HIS CA C 56.83 0.064 1 102 . 28 HIS CB C 33.442 0.072 1 103 . 28 HIS N N 122.606 0.083 1 104 . 29 GLY H H 8.517 0.006 1 105 . 29 GLY HA2 H 4.292 0.039 1 106 . 29 GLY HA3 H 3.925 0.041 1 107 . 29 GLY C C 173.964 0 1 108 . 29 GLY CA C 45.518 0.061 1 109 . 29 GLY N N 110.735 0.07 1 110 . 30 CYS H H 8.525 0.003 1 111 . 30 CYS C C 175.183 0 1 112 . 30 CYS CA C 56.157 0.064 1 113 . 30 CYS CB C 44.264 0.064 1 114 . 30 CYS N N 118.194 0.085 1 115 . 31 GLY H H 8.599 0.005 1 116 . 31 GLY HA2 H 4.34 0 1 117 . 31 GLY HA3 H 3.992 0 1 118 . 31 GLY C C 175.078 0 1 119 . 31 GLY CA C 45.992 0.04 1 120 . 31 GLY N N 110.322 0.085 1 121 . 32 GLN H H 8.356 0.012 1 122 . 32 GLN HA H 4.161 0 1 123 . 32 GLN C C 175.598 0 1 124 . 32 GLN CA C 56.32 0.071 1 125 . 32 GLN CB C 29.787 0.06 1 126 . 32 GLN N N 120.456 0.012 1 127 . 33 TYR H H 8.62 0.006 1 128 . 33 TYR HA H 4.613 0.074 1 129 . 33 TYR C C 176.177 0 1 130 . 33 TYR CA C 54.57 0.064 1 131 . 33 TYR CB C 41.633 0.03 1 132 . 33 TYR N N 123.447 0.063 1 133 . 34 SER H H 8.27 0.006 1 134 . 34 SER HA H 4.519 0 1 135 . 34 SER C C 174.332 0 1 136 . 34 SER CA C 58.65 0.072 1 137 . 34 SER CB C 64.118 0.052 1 138 . 34 SER N N 116.623 0.073 1 139 . 35 ALA H H 8.387 0.008 1 140 . 35 ALA HA H 4.261 0 1 141 . 35 ALA C C 177.906 0 1 142 . 35 ALA CA C 53.156 0.029 1 143 . 35 ALA CB C 19.455 0.071 1 144 . 35 ALA N N 126.369 0.093 1 145 . 36 GLN H H 8.211 0.013 1 146 . 36 GLN HA H 4.343 0 1 147 . 36 GLN C C 175.839 0 1 148 . 36 GLN CA C 56.507 0.069 1 149 . 36 GLN CB C 29.565 0.038 1 150 . 36 GLN N N 118.658 0.083 1 151 . 37 ARG H H 8.229 0.007 1 152 . 37 ARG HA H 4.088 0 1 153 . 37 ARG C C 176.532 0 1 154 . 37 ARG CA C 56.891 0.016 1 155 . 37 ARG CB C 30.987 0.019 1 156 . 37 ARG N N 121.149 0.072 1 157 . 38 SER H H 8.222 0.006 1 158 . 38 SER HA H 4.49 0 1 159 . 38 SER C C 174.479 0 1 160 . 38 SER CA C 58.877 0.043 1 161 . 38 SER CB C 64.069 0.005 1 162 . 38 SER N N 115.91 0.09 1 163 . 39 GLN H H 8.347 0.005 1 164 . 39 GLN CA C 56.105 0.063 1 165 . 39 GLN CB C 29.918 0.051 1 166 . 39 GLN N N 121.884 0.062 1 167 . 40 ARG H H 8.468 0.003 1 168 . 40 ARG CA C 56.704 0.011 1 169 . 40 ARG CB C 31.079 0 1 170 . 40 ARG N N 122.903 0.095 1 171 . 41 PRO HA H 4.437 0.017 1 172 . 41 PRO C C 176.735 0 1 173 . 41 PRO CA C 63.425 0.048 1 174 . 41 PRO CB C 32.572 0.074 1 175 . 42 HIS H H 8.604 0.008 1 176 . 42 HIS C C 174.535 0 1 177 . 42 HIS CA C 55.868 0.058 1 178 . 42 HIS CB C 29.684 0.022 1 179 . 42 HIS N N 118.966 0.085 1 180 . 43 GLN H H 8.422 0.007 1 181 . 43 GLN C C 175.185 0 1 182 . 43 GLN CA C 56.211 0.032 1 183 . 43 GLN CB C 29.916 0.031 1 184 . 43 GLN N N 121.745 0.079 1 185 . 44 GLY H H 8.524 0.032 1 186 . 44 GLY C C 174.03 0 1 187 . 44 GLY CA C 45.553 0.043 1 188 . 44 GLY HA2 H 4.028 0.028 1 189 . 44 GLY HA3 H 4.028 0.028 1 190 . 44 GLY N N 110.558 0.081 1 191 . 45 VAL H H 8.199 0.004 1 192 . 45 VAL HA H 4.35 0 1 193 . 45 VAL C C 175.078 0 1 194 . 45 VAL CA C 55.876 0.044 1 195 . 45 VAL CB C 30.047 0.076 1 196 . 45 VAL N N 119.943 0.063 1 197 . 46 ASP H H 8.367 0.006 1 198 . 46 ASP CA C 53.537 0.062 1 199 . 46 ASP CB C 39.265 0.045 1 200 . 46 ASP N N 120.419 0.048 1 201 . 47 VAL H H 8.474 0.006 1 202 . 47 VAL HA H 4.49 0.061 1 203 . 47 VAL C C 177.085 0 1 204 . 47 VAL CA C 55.617 0.014 1 205 . 47 VAL CB C 32.633 0 1 206 . 47 VAL N N 119.438 0.046 1 207 . 48 LEU H H 8.263 0.008 1 208 . 48 LEU HA H 4.332 0 1 209 . 48 LEU C C 177.466 0 1 210 . 48 LEU CA C 56.883 0.039 1 211 . 48 LEU N N 121.68 0.086 1 212 . 49 CYS H H 8.279 0.004 1 213 . 49 CYS HA H 4.437 0 1 214 . 49 CYS C C 175.837 0 1 215 . 49 CYS CA C 56.027 0.059 1 216 . 49 CYS CB C 29.876 0.024 1 217 . 49 CYS N N 121.03 0.058 1 218 . 50 SER H H 8.273 0.003 1 219 . 50 SER HA H 4.433 0 1 220 . 50 SER C C 174.446 0 1 221 . 50 SER CA C 58.656 0.057 1 222 . 50 SER CB C 64.114 0.025 1 223 . 50 SER N N 116.994 0.074 1 224 . 51 ALA H H 8.318 0.005 1 225 . 51 ALA C C 178.153 0 1 226 . 51 ALA CA C 53.177 0.061 1 227 . 51 ALA CB C 19.596 0.043 1 228 . 51 ALA N N 125.996 0.074 1 229 . 52 GLY H H 8.349 0.005 1 230 . 52 GLY HA2 H 4.07 0 1 231 . 52 GLY HA3 H 4.07 0 1 232 . 52 GLY C C 174.246 0 1 233 . 52 GLY CA C 45.6 0.077 1 234 . 52 GLY N N 108.114 0.084 1 235 . 53 SER H H 8.164 0.005 1 236 . 53 SER HA H 4.604 0 1 237 . 53 SER C C 174.668 0 1 238 . 53 SER CA C 58.597 0.043 1 239 . 53 SER CB C 64.305 0.064 1 240 . 53 SER N N 115.575 0.092 1 241 . 54 THR H H 8.195 0.007 1 242 . 54 THR HA H 4.419 0 1 243 . 54 THR C C 174.201 0 1 244 . 54 THR CA C 62.366 0.055 1 245 . 54 THR CB C 70.005 0.087 1 246 . 54 THR N N 116.606 0.086 1 247 . 55 VAL H H 8.055 0.006 1 248 . 55 VAL HA H 4.167 0 1 249 . 55 VAL C C 175.457 0 1 250 . 55 VAL CA C 62.56 0.057 1 251 . 55 VAL CB C 33.205 0.075 1 252 . 55 VAL N N 122.666 0.082 1 253 . 56 TYR H H 8.221 0.007 1 254 . 56 TYR C C 174.825 0 1 255 . 56 TYR CA C 57.812 0.022 1 256 . 56 TYR CB C 39.26 0.065 1 257 . 56 TYR N N 124.309 0.092 1 258 . 57 ALA H H 8.135 0.007 1 259 . 57 ALA CA C 50.496 0.041 1 260 . 57 ALA CB C 18.945 0 1 261 . 57 ALA N N 127.71 0.073 1 262 . 58 PRO C C 176.627 0 1 263 . 58 PRO CA C 63.423 0.022 1 264 . 58 PRO CB C 32.206 0.017 1 265 . 59 PHE H H 8.24 0.005 1 266 . 59 PHE C C 176.201 0 1 267 . 59 PHE CA C 58.058 0.018 1 268 . 59 PHE CB C 39.558 0.095 1 269 . 59 PHE N N 119.732 0.062 1 270 . 60 THR H H 8.073 0.006 1 271 . 60 THR HA H 4.294 0 1 272 . 60 THR C C 174.841 0 1 273 . 60 THR CA C 62.199 0.054 1 274 . 60 THR CB C 70.107 0.003 1 275 . 60 THR N N 115.803 0.085 1 276 . 61 GLY H H 7.681 0.004 1 277 . 61 GLY HA2 H 3.966 0 1 278 . 61 GLY HA3 H 3.966 0 1 279 . 61 GLY C C 173.627 0 1 280 . 61 GLY CA C 45.559 0.057 1 281 . 61 GLY N N 110.384 0.076 1 282 . 62 MET H H 8.046 0.006 1 283 . 62 MET HA H 4.526 0 1 284 . 62 MET C C 175.914 0 1 285 . 62 MET CA C 55.808 0.053 1 286 . 62 MET CB C 33.281 0.019 1 287 . 62 MET N N 119.684 0.059 1 288 . 63 ILE H H 8.279 0.005 1 289 . 63 ILE HA H 4.173 0 1 290 . 63 ILE C C 176.161 0 1 291 . 63 ILE CA C 61.209 0.043 1 292 . 63 ILE CB C 38.811 0.063 1 293 . 63 ILE N N 123.761 0.087 1 294 . 64 VAL H H 8.276 0.01 1 295 . 64 VAL C C 176.59 0 1 296 . 64 VAL CA C 62.858 0.034 1 297 . 64 VAL CB C 32.986 0.043 1 298 . 64 VAL N N 125.527 0.087 1 299 . 65 GLY H H 8.559 0.002 1 300 . 65 GLY HA2 H 4.056 0 1 301 . 65 GLY HA3 H 4.056 0 1 302 . 65 GLY C C 174.036 0 1 303 . 65 GLY CA C 45.531 0.043 1 304 . 65 GLY N N 113.309 0.089 1 305 . 66 GLN H H 8.198 0.004 1 306 . 66 GLN HA H 4.439 0 1 307 . 66 GLN C C 175.888 0 1 308 . 66 GLN CA C 55.9 0.074 1 309 . 66 GLN CB C 30.003 0.059 1 310 . 66 GLN N N 119.867 0.076 1 311 . 67 GLU H H 8.584 0.003 1 312 . 67 GLU HA H 4.345 0 1 313 . 67 GLU C C 176.228 0 1 314 . 67 GLU CA C 56.987 0.056 1 315 . 67 GLU CB C 30.494 0.032 1 316 . 67 GLU N N 122.572 0.064 1 317 . 68 LYS H H 8.354 0.006 1 318 . 68 LYS CA C 54.456 0.026 1 319 . 68 LYS CB C 32.743 0 1 320 . 68 LYS N N 123.331 0.07 1 321 . 69 PRO HA H 4.447 0 1 322 . 69 PRO C C 174.518 0 1 323 . 69 PRO CA C 63.459 0.032 1 324 . 69 PRO CB C 32.313 0.08 1 325 . 70 TYR H H 8.13 0.005 1 326 . 70 TYR HA H 4.396 0 1 327 . 70 TYR C C 175.678 0 1 328 . 70 TYR CA C 58.169 0.056 1 329 . 70 TYR CB C 38.793 0.076 1 330 . 70 TYR N N 119.928 0.091 1 331 . 71 GLN CA C 55.81 0.054 1 332 . 71 GLN CB C 29.913 0.037 1 333 . 71 GLN H H 8.101 0.004 1 334 . 71 GLN N N 122.244 0.077 1 335 . 72 ASN H H 8.366 0.004 1 336 . 72 ASN HA H 4.36 0 1 337 . 72 ASN C C 176.462 0 1 338 . 72 ASN CA C 53.437 0.075 1 339 . 72 ASN CB C 39.156 0.041 1 340 . 72 ASN N N 120.558 0.053 1 341 . 73 LYS H H 8.402 0.018 1 342 . 73 LYS HA H 4.336 0 1 343 . 73 LYS C C 176.38 0 1 344 . 73 LYS CA C 57.131 0.047 1 345 . 73 LYS CB C 33.094 0.041 1 346 . 73 LYS N N 122.493 0.069 1 347 . 74 ASN H H 8.392 0.003 1 348 . 74 ASN HA H 4.769 0 1 349 . 74 ASN C C 174.776 0 1 350 . 74 ASN CA C 53.557 0.093 1 351 . 74 ASN CB C 39.233 0.078 1 352 . 74 ASN N N 118.994 0.056 1 353 . 75 ALA H H 8.079 0.003 1 354 . 75 ALA HA H 4.255 0 1 355 . 75 ALA C C 177.325 0 1 356 . 75 ALA CA C 52.841 0.046 1 357 . 75 ALA CB C 19.722 0.074 1 358 . 75 ALA N N 124.081 0.089 1 359 . 76 ILE H H 8.009 0.005 1 360 . 76 ILE HA H 4.243 0 1 361 . 76 ILE C C 175.222 0 1 362 . 76 ILE CA C 61.432 0.062 1 363 . 76 ILE CB C 39.273 0.095 1 364 . 76 ILE N N 119.257 0.083 1 365 . 77 ASN H H 7.979 0.001 1 366 . 77 ASN N N 127.512 0.034 1 367 . 78 ASN H H 7.976 0.003 1 368 . 78 ASN HA H 4.588 0 1 369 . 78 ASN C C 176.08 0 1 370 . 78 ASN CA C 41.313 0.046 1 371 . 78 ASN CB C 55.09 0.013 1 372 . 78 ASN N N 127.545 0.045 1 373 . 79 GLY H H 8.259 0.002 1 374 . 79 GLY HA2 H 5.315 1.803 1 375 . 79 GLY HA3 H 5.315 1.803 1 376 . 79 GLY C C 173.975 0 1 377 . 79 GLY CA C 45.591 0.063 1 378 . 79 GLY N N 113.666 0.088 1 379 . 80 VAL H H 8.011 0.006 1 380 . 80 VAL HA H 4.234 0 1 381 . 80 VAL C C 175.827 0 1 382 . 80 VAL CA C 62.457 0.038 1 383 . 80 VAL CB C 33.235 0.068 1 384 . 80 VAL N N 118.55 0.077 1 385 . 81 ARG H H 8.44 0.007 1 386 . 81 ARG HA H 4.648 0.014 1 387 . 81 ARG C C 176.259 0 1 388 . 81 ARG CA C 54.587 0.055 1 389 . 81 ARG CB C 41.617 0.071 1 390 . 81 ARG N N 123.648 0.093 1 391 . 82 ILE H H 8.023 0.009 1 392 . 82 ILE HA H 4.26 0 1 393 . 82 ILE C C 176.26 0 1 394 . 82 ILE CA C 61.298 0.057 1 395 . 82 ILE CB C 39.357 0.095 1 396 . 82 ILE N N 119.762 0.11 1 397 . 83 SER H H 8.341 0.009 1 398 . 83 SER HA H 4.517 0 1 399 . 83 SER C C 175 0 1 400 . 83 SER CA C 58.687 0.072 1 401 . 83 SER CB C 64.352 0.053 1 402 . 83 SER N N 119.56 0.092 1 403 . 84 GLY H H 8.438 0.007 1 404 . 84 GLY HA2 H 4.681 0 1 405 . 84 GLY HA3 H 4.348 0 1 406 . 84 GLY C C 172.488 0 1 407 . 84 GLY CA C 45.794 0.038 1 408 . 84 GLY N N 111.081 0.081 1 409 . 85 ARG H H 9.081 0.005 1 410 . 85 ARG HA H 4.394 0 1 411 . 85 ARG C C 175.534 0 1 412 . 85 ARG CA C 57.209 0.057 1 413 . 85 ARG CB C 28.397 0.056 1 414 . 85 ARG N N 121.564 0.082 1 415 . 86 GLY H H 8.334 0.005 1 416 . 86 GLY HA2 H 3.731 0 1 417 . 86 GLY HA3 H 3.486 0 1 418 . 86 GLY C C 173.407 0 1 419 . 86 GLY CA C 45.182 0.041 1 420 . 86 GLY N N 109.294 0.063 1 421 . 87 PHE H H 7.274 0.005 1 422 . 87 PHE CA C 54.962 0.072 1 423 . 87 PHE CB C 41.743 0 1 424 . 87 PHE N N 117.603 0.085 1 425 . 88 CYS H H 9.323 0.01 1 426 . 88 CYS CA C 57.657 0.007 1 427 . 88 CYS N N 123.594 0.075 1 428 . 94 ILE C C 175.486 0 1 429 . 95 LYS H H 8.003 0.002 1 430 . 95 LYS N N 129.226 0.003 1 431 . 96 PRO HA H 4.45 0.033 1 432 . 96 PRO C C 176.726 0 1 433 . 96 PRO CA C 63.171 0.05 1 434 . 96 PRO CB C 32.479 0.025 1 435 . 97 ILE H H 8.181 0.006 1 436 . 97 ILE HA H 4.144 0.023 1 437 . 97 ILE C C 174.317 0 1 438 . 97 ILE CA C 61.662 0.408 1 439 . 97 ILE CB C 39.154 0.057 1 440 . 97 ILE N N 121.873 0.093 1 441 . 98 LYS H H 8.409 0.002 1 442 . 98 LYS HA H 4.173 0 1 443 . 98 LYS C C 176.121 0 1 444 . 98 LYS CA C 56.286 0.023 1 445 . 98 LYS CB C 33.542 0.057 1 446 . 98 LYS N N 126.451 0.087 1 447 . 99 TYR H H 8.104 0.097 1 448 . 99 TYR HA H 4.684 0 1 449 . 99 TYR C C 175.88 0 1 450 . 99 TYR CA C 55.394 0.348 1 451 . 99 TYR CB C 42.579 0.05 1 452 . 99 TYR N N 125.52 0.091 1 453 . 100 LYS H H 8.268 0.007 1 454 . 100 LYS HA H 4.418 0 1 455 . 100 LYS C C 176.129 0 1 456 . 100 LYS CA C 56.183 0.075 1 457 . 100 LYS CB C 29.971 0.069 1 458 . 100 LYS N N 120.926 0.094 1 459 . 101 GLY H H 8.516 0.005 1 460 . 101 GLY CA C 45.606 0.027 1 461 . 101 GLY N N 110.795 0.095 1 462 . 102 PRO HA H 4.52 0 1 463 . 102 PRO C C 173.132 0 1 464 . 102 PRO CA C 63.177 0.059 1 465 . 102 PRO CB C 32.382 0.19 1 466 . 103 ILE H H 8.264 0.004 1 467 . 103 ILE CA C 61.48 0.071 1 468 . 103 ILE CB C 39.085 0.042 1 469 . 103 ILE N N 121.583 0.148 1 470 . 104 LYS H H 8.495 0.004 1 471 . 104 LYS C C 176.424 0 1 472 . 104 LYS CA C 56.159 0.078 1 473 . 104 LYS CB C 29.971 0.083 1 474 . 104 LYS N N 124.351 0.083 1 475 . 105 LYS H H 8.497 0.007 1 476 . 105 LYS HA H 4.144 0.469 1 477 . 105 LYS C C 177.132 0 1 478 . 105 LYS CA C 56.706 0 1 479 . 105 LYS CB C 33.891 0 1 480 . 105 LYS N N 124.185 0.162 1 481 . 106 GLY H H 8.513 0.004 1 482 . 106 GLY HA2 H 4.345 0 1 483 . 106 GLY HA3 H 4.103 0 1 484 . 106 GLY C C 173.138 0 1 485 . 106 GLY CA C 45.514 0.097 1 486 . 106 GLY N N 110.817 0.072 1 487 . 107 GLU H H 8.263 0.004 1 488 . 107 GLU HA H 4.41 0 1 489 . 107 GLU C C 174.467 0 1 490 . 107 GLU CA C 54.817 0.098 1 491 . 107 GLU CB C 30.958 0.044 1 492 . 107 GLU N N 121.213 0.097 1 493 . 108 LYS H H 8.438 0.008 1 494 . 108 LYS HA H 4.365 0 1 495 . 108 LYS C C 176.517 0 1 496 . 108 LYS CA C 56.55 0.068 1 497 . 108 LYS CB C 33.155 0.095 1 498 . 108 LYS N N 122.493 0.092 1 499 . 109 LEU H H 8.319 0.004 1 500 . 109 LEU C C 177.928 0 1 501 . 109 LEU CA C 55.567 0.071 1 502 . 109 LEU CB C 42.757 0.08 1 503 . 109 LEU N N 123.835 0.065 1 504 . 110 GLY H H 8.482 0.004 1 505 . 110 GLY HA2 H 4.066 0 1 506 . 110 GLY HA3 H 4.066 0 1 507 . 110 GLY C C 174.212 0 1 508 . 110 GLY CA C 45.619 0.063 1 509 . 110 GLY N N 110.025 0.084 1 510 . 111 THR H H 7.98 0.003 1 511 . 111 THR HA H 4.258 0 1 512 . 111 THR C C 174.289 0 1 513 . 111 THR CA C 62.232 0.049 1 514 . 111 THR CB C 70.132 0.064 1 515 . 111 THR N N 114.022 0.08 1 516 . 112 LEU H H 8.259 0.004 1 517 . 112 LEU HA H 4.445 0 1 518 . 112 LEU C C 176.854 0 1 519 . 112 LEU CA C 55.326 0.041 1 520 . 112 LEU CB C 42.718 0.015 1 521 . 112 LEU N N 125.024 0.085 1 522 . 113 LEU H H 8.188 0.005 1 523 . 113 LEU CA C 53.337 0 1 524 . 113 LEU CB C 42.192 0.018 1 525 . 113 LEU N N 124.698 0.091 1 526 . 114 PRO HA H 4.443 0 1 527 . 114 PRO C C 176.631 0 1 528 . 114 PRO CA C 63.449 0.021 1 529 . 114 PRO CB C 32.313 0.073 1 530 . 115 LEU H H 8.131 0.006 1 531 . 115 LEU HA H 4.242 0 1 532 . 115 LEU C C 174.348 0 1 533 . 115 LEU CA C 58.222 0.077 1 534 . 115 LEU CB C 38.747 0.005 1 535 . 115 LEU N N 119.899 0.079 1 536 . 116 GLN H H 8.193 0.07 1 537 . 116 GLN HA H 4.434 0 1 538 . 116 GLN C C 176.377 0 1 539 . 116 GLN CB C 31.885 0.083 1 540 . 116 GLN N N 121.08 0.09 1 541 . 117 LYS H H 8.101 0.004 1 542 . 117 LYS HA H 4.354 0 1 543 . 117 LYS C C 175.865 0 1 544 . 117 LYS CA C 56.564 0.019 1 545 . 117 LYS CB C 33.305 0.087 1 546 . 117 LYS N N 120.865 0.025 1 547 . 118 VAL H H 7.97 0.003 1 548 . 118 VAL C C 175.288 0 1 549 . 118 VAL CA C 62.158 0.073 1 550 . 118 VAL CB C 33.434 0.089 1 551 . 118 VAL N N 121.168 0.047 1 552 . 119 TYR H H 8.347 0.007 1 553 . 119 TYR CA C 55.853 0.054 1 554 . 119 TYR CB C 33.421 0 1 555 . 119 TYR N N 125.439 0.08 1 556 . 120 PRO HA H 4.457 0.025 1 557 . 120 PRO C C 177.332 0 1 558 . 120 PRO CA C 63.688 0.029 1 559 . 120 PRO CB C 32.474 0.083 1 560 . 121 GLY H H 8.101 0.002 1 561 . 121 GLY HA2 H 4.026 0 1 562 . 121 GLY HA3 H 4.026 0 1 563 . 121 GLY C C 174.19 0 1 564 . 121 GLY CA C 45.555 0.011 1 565 . 121 GLY N N 108.799 0.075 1 566 . 122 ILE H H 7.966 0.004 1 567 . 122 ILE HA H 4.179 0.005 1 568 . 122 ILE C C 176.414 0 1 569 . 122 ILE CA C 61.532 0.05 1 570 . 122 ILE CB C 39.224 0.07 1 571 . 122 ILE N N 120.132 0.065 1 572 . 123 GLN H H 8.495 0.004 1 573 . 123 GLN C C 175.833 0 1 574 . 123 GLN CA C 56.059 0.044 1 575 . 123 GLN CB C 29.82 0.044 1 576 . 123 GLN N N 124.306 0.069 1 577 . 124 SER H H 8.273 0.004 1 578 . 124 SER HA H 3.912 0.019 1 579 . 124 SER C C 174.51 0 1 580 . 124 SER CA C 64.354 0 1 581 . 124 SER CB C 59.359 0 1 582 . 124 SER N N 117.029 0.077 1 583 . 125 HIS H H 8.347 0.006 1 584 . 125 HIS HA H 4.425 0 1 585 . 125 HIS C C 174.363 0 1 586 . 125 HIS CA C 55.74 0.037 1 587 . 125 HIS CB C 29.741 0.031 1 588 . 125 HIS N N 121.798 0.038 1 589 . 126 VAL H H 8.063 0.004 1 590 . 126 VAL HA H 4.423 0 1 591 . 126 VAL C C 176.369 0 1 592 . 126 VAL CA C 62.603 0.06 1 593 . 126 VAL CB C 33.408 0.096 1 594 . 126 VAL N N 121.054 0.07 1 595 . 127 HIS H H 8.61 0.024 1 596 . 127 HIS HA H 4.546 0 1 597 . 127 HIS C C 175.931 0 1 598 . 127 HIS CA C 55.641 0.041 1 599 . 127 HIS CB C 29.695 0.003 1 600 . 127 HIS N N 123.411 0.1 1 601 . 128 ILE H H 8.243 0.003 1 602 . 128 ILE C C 175.835 0 1 603 . 128 ILE CA C 61.168 0.051 1 604 . 128 ILE CB C 39.167 0.043 1 605 . 128 ILE N N 124.407 0.089 1 606 . 129 GLU H H 8.589 0.005 1 607 . 129 GLU HA H 4.18 0 1 608 . 129 GLU C C 176.21 0 1 609 . 129 GLU CA C 56.823 0.011 1 610 . 129 GLU CB C 30.829 0 1 611 . 129 GLU N N 125.152 0.095 1 612 . 130 ASN H H 8.42 0.007 1 613 . 130 ASN CA C 53.368 0.072 1 614 . 130 ASN CB C 39.744 0.018 1 615 . 130 ASN N N 125.113 0.044 1 616 . 131 CYS H H 7.997 0.003 1 617 . 131 CYS CA C 55.13 0.031 1 618 . 131 CYS CB C 41.235 0 1 619 . 131 CYS N N 124.946 0.071 1 620 . 132 ASP C C 176.177 0 1 621 . 132 ASP CA C 54.682 0.031 1 622 . 132 ASP CB C 41.505 0 1 623 . 133 SER H H 8.278 0.007 1 624 . 133 SER HA H 4.586 0 1 625 . 133 SER C C 173.32 0 1 626 . 133 SER CA C 58.825 0.071 1 627 . 133 SER CB C 64.115 0.059 1 628 . 133 SER N N 116.506 0.087 1 629 . 134 SER H H 7.763 0.005 1 630 . 134 SER HA H 4.526 0 1 631 . 134 SER C C 173.822 0 1 632 . 134 SER CA C 58.777 0.059 1 633 . 134 SER CB C 64.261 0.045 1 634 . 134 SER N N 115.079 0.062 1 635 . 135 ASP H H 8.232 0.021 1 636 . 135 ASP CA C 52.171 0.043 1 637 . 135 ASP CB C 41.668 0 1 638 . 135 ASP N N 123.234 0.089 1 639 . 136 PRO HA H 4.499 0 1 640 . 136 PRO C C 177.719 0 1 641 . 136 PRO CA C 64.105 0.075 1 642 . 136 PRO CB C 32.626 0.072 1 643 . 137 THR H H 8.293 0.025 1 644 . 137 THR HA H 4.293 0 1 645 . 137 THR C C 174.638 0 1 646 . 137 THR CA C 62.936 0.017 1 647 . 137 THR CB C 69.617 0.024 1 648 . 137 THR N N 112.332 0.08 1 649 . 138 ALA H H 7.817 0.003 1 650 . 138 ALA HA H 4.234 0.015 1 651 . 138 ALA C C 177.093 0 1 652 . 138 ALA CA C 52.969 0.049 1 653 . 138 ALA CB C 19.542 0.05 1 654 . 138 ALA N N 125.273 0.088 1 655 . 139 TYR H H 7.854 0.003 1 656 . 139 TYR HA H 4.687 0 1 657 . 139 TYR C C 174.789 0 1 658 . 139 TYR CA C 57.732 0.031 1 659 . 139 TYR CB C 57.732 0.031 1 660 . 139 TYR N N 118.408 0.042 1 661 . 140 LEU H H 7.571 0.002 1 662 . 140 LEU CA C 57.034 0.061 1 663 . 140 LEU CB C 43.706 0 1 664 . 140 LEU N N 128.363 0.055 1 stop_ save_