data_7106 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Assignment of human RGS18 (regulator of G-protein signalling) ; _BMRB_accession_number 7106 _BMRB_flat_file_name bmr7106.str _Entry_type original _Submission_date 2006-05-11 _Accession_date 2006-05-11 _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 Higman Victoria A. . 2 Leidert Martina . . 3 Elkins Jon . . 4 Soundararajan Meera . . 5 Brockmann Christoph . . 6 Schmieder Peter . . 7 Sundstrom Michael . . 8 Arrowsmith Cheryl . . 9 Weigelt Johan . . 10 Edwards Aled . . 11 Diehl Annette . . 12 Oschkinat Hartmut . . 13 Ball Linda J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 792 "13C chemical shifts" 601 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-09 update BMRB 'complete entry citation' 2006-08-15 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of Human RGS18' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16964532 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Higman Victoria A. . 2 Leidert Martina . . 3 Diehl Annette . . 4 Elkins Jonathan . . 5 Soundararajan Meera . . 6 Oschkinat Hartmut . . 7 Ball Linda J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 72 _Page_last 72 _Year 2006 _Details 'Letter to the Editor' save_ ####################################### # Cited references within the entry # ####################################### save_cyana1 _Saveframe_category citation _Citation_full . _Citation_title 'Torsion angle dynamics for NMR structure calculation with the new program DYANA' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9367762 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Guntert Peter . . 2 Mumenthaler Christian . . 3 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full . _Journal_volume 273 _Journal_issue 1 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 283 _Page_last 298 _Year 1997 _Details . save_ save_cyana2 _Saveframe_category citation _Citation_full . _Citation_title 'Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12051947 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Herrmann Thorsten . . 2 Guntert Peter . . 3 Wuthrich Kurt . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full . _Journal_volume 319 _Journal_issue 1 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 209 _Page_last 227 _Year 2002 _Details . save_ save_ccpn _Saveframe_category citation _Citation_full . _Citation_title 'The CCPN Data Model for NMR Spectroscopy: Development of a Software Pipeline' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15815974 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vranken Wim F. . 2 Boucher Wayne . . 3 Stevens Tim J. . 4 Fogh Rasmus H. . 5 Pajon Anne . . 6 Llinas Miguel . . 7 Ulrich Eldon L. . 8 Markley John L. . 9 Ionides John . . 10 Laue Ernest D. . stop_ _Journal_abbreviation Proteins _Journal_name_full . _Journal_volume 59 _Journal_issue 4 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 687 _Page_last 696 _Year 2005 _Details . save_ save_xplor _Saveframe_category citation _Citation_full . _Citation_title 'The Xplor-NIH NMR Molecular Structure Determination Package' _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 Schwieters Charles D. . 2 Kuszewski John J. . 3 Tjandra Nico . . 4 Clore Marius . . stop_ _Journal_abbreviation 'J. Magn. Reson.' _Journal_name_full . _Journal_volume 160 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 66 _Page_last 74 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RGS18 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RGS18 $RGS18_polypeptide stop_ _System_molecular_weight 17760 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details Monomeric save_ ######################## # Monomeric polymers # ######################## save_RGS18_polypeptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RGS18 _Molecular_mass 17760 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; SMVSPEEAVKWGESFDKLLS HRDGLEAFTRFLKTEFSEEN IEFWIACEDFKKSKGPQQIH LKAKAIYEKFIQTDAPKEVN LDFHTKEVITNSITQPTLHS FDAAQSRVYQLMEQDSYTRF LKSDIYLDLMEGRPQRPTNL RRRSRSFTCNE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 SER 2 2 MET 3 3 VAL 4 4 SER 5 5 PRO 6 6 GLU 7 7 GLU 8 8 ALA 9 9 VAL 10 10 LYS 11 11 TRP 12 12 GLY 13 13 GLU 14 14 SER 15 15 PHE 16 16 ASP 17 17 LYS 18 18 LEU 19 19 LEU 20 20 SER 21 21 HIS 22 22 ARG 23 23 ASP 24 24 GLY 25 25 LEU 26 26 GLU 27 27 ALA 28 28 PHE 29 29 THR 30 30 ARG 31 31 PHE 32 32 LEU 33 33 LYS 34 34 THR 35 35 GLU 36 36 PHE 37 37 SER 38 38 GLU 39 39 GLU 40 40 ASN 41 41 ILE 42 42 GLU 43 43 PHE 44 44 TRP 45 45 ILE 46 46 ALA 47 47 CYS 48 48 GLU 49 49 ASP 50 50 PHE 51 51 LYS 52 52 LYS 53 53 SER 54 54 LYS 55 55 GLY 56 56 PRO 57 57 GLN 58 58 GLN 59 59 ILE 60 60 HIS 61 61 LEU 62 62 LYS 63 63 ALA 64 64 LYS 65 65 ALA 66 66 ILE 67 67 TYR 68 68 GLU 69 69 LYS 70 70 PHE 71 71 ILE 72 72 GLN 73 73 THR 74 74 ASP 75 75 ALA 76 76 PRO 77 77 LYS 78 78 GLU 79 79 VAL 80 80 ASN 81 81 LEU 82 82 ASP 83 83 PHE 84 84 HIS 85 85 THR 86 86 LYS 87 87 GLU 88 88 VAL 89 89 ILE 90 90 THR 91 91 ASN 92 92 SER 93 93 ILE 94 94 THR 95 95 GLN 96 96 PRO 97 97 THR 98 98 LEU 99 99 HIS 100 100 SER 101 101 PHE 102 102 ASP 103 103 ALA 104 104 ALA 105 105 GLN 106 106 SER 107 107 ARG 108 108 VAL 109 109 TYR 110 110 GLN 111 111 LEU 112 112 MET 113 113 GLU 114 114 GLN 115 115 ASP 116 116 SER 117 117 TYR 118 118 THR 119 119 ARG 120 120 PHE 121 121 LEU 122 122 LYS 123 123 SER 124 124 ASP 125 125 ILE 126 126 TYR 127 127 LEU 128 128 ASP 129 129 LEU 130 130 MET 131 131 GLU 132 132 GLY 133 133 ARG 134 134 PRO 135 135 GLN 136 136 ARG 137 137 PRO 138 138 THR 139 139 ASN 140 140 LEU 141 141 ARG 142 142 ARG 143 143 ARG 144 144 SER 145 145 ARG 146 146 SER 147 147 PHE 148 148 THR 149 149 CYS 150 150 ASN 151 151 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2DLV "Solution Structure Of The Rgs Domain Of Human Regulator Of G-Protein Signaling 18" 87.42 140 97.73 97.73 4.55e-89 PDB 2JM5 "Solution Structure Of The Rgs Domain From Human Rgs18" 100.00 151 100.00 100.00 7.03e-108 PDB 2OWI "Solution Structure Of The Rgs Domain From Human Rgs18" 100.00 151 100.00 100.00 7.03e-108 DBJ BAF84704 "unnamed protein product [Homo sapiens]" 98.68 235 99.33 99.33 1.95e-104 DBJ BAG37770 "unnamed protein product [Homo sapiens]" 98.68 235 100.00 100.00 1.02e-105 DBJ BAG51866 "unnamed protein product [Homo sapiens]" 98.68 235 99.33 99.33 9.51e-105 DBJ BAI46194 "regulator of G-protein signaling 18 [synthetic construct]" 98.68 235 100.00 100.00 1.02e-105 GB AAF80227 "regulator of G-protein signaling 13 [Homo sapiens]" 98.68 235 100.00 100.00 1.02e-105 GB AAH20632 "Regulator of G-protein signaling 18 [Homo sapiens]" 98.68 235 100.00 100.00 1.02e-105 GB AAK58589 "regulator of G-protein signaling 18 [Homo sapiens]" 98.68 235 100.00 100.00 1.02e-105 GB ABM82319 "regulator of G-protein signalling 18 [synthetic construct]" 98.68 235 100.00 100.00 1.02e-105 GB ABM85495 "regulator of G-protein signalling 18 [synthetic construct]" 98.68 235 100.00 100.00 1.02e-105 REF NP_570138 "regulator of G-protein signaling 18 [Homo sapiens]" 98.68 235 100.00 100.00 1.02e-105 REF XP_001113061 "PREDICTED: regulator of G-protein signaling 18 [Macaca mulatta]" 98.68 235 97.99 99.33 3.15e-103 REF XP_002809731 "PREDICTED: regulator of G-protein signaling 18 [Pongo abelii]" 98.68 235 98.66 99.33 1.07e-104 REF XP_003264531 "PREDICTED: regulator of G-protein signaling 18 [Nomascus leucogenys]" 98.68 235 98.66 99.33 1.14e-103 REF XP_003820638 "PREDICTED: regulator of G-protein signaling 18 [Pan paniscus]" 98.68 235 99.33 99.33 3.76e-105 SP Q9NS28 "RecName: Full=Regulator of G-protein signaling 18; Short=RGS18 [Homo sapiens]" 98.68 235 100.00 100.00 1.02e-105 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RGS18_polypeptide Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $RGS18_polypeptide 'recombinant technology' 'E. coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '15N labelled RGS18' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RGS18_polypeptide 1.0 mM '[U-95% 15N]' 'Sodium Phosphate buffer' 20 mM . 'sodium chloride' 50 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '15N,13C labelled RGS18' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RGS18_polypeptide 1.0 mM '[U-95% 15N; U-95% 13C]' 'Sodium Phosphate buffer' 20 mM . 'sodium chloride' 50 mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '15N,13C labelled RGS18 in 100% D2O, made from freeze-dried sample2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RGS18_polypeptide 1.0 mM '[U-95% 15N; U-95% 13C]' 'Sodium Phosphate buffer' 20 mM . 'sodium chloride' 50 mM . D2O 100 % . stop_ save_ ############################ # Computer software used # ############################ save_XWIN-NMR _Saveframe_category software _Name XWIN-NMR _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPNMR_Analysis _Saveframe_category software _Name ANALYSIS _Version 1.0.9-10 loop_ _Task assignment stop_ _Details . _Citation_label $ccpn save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0 loop_ _Task 'automated NOESY peak assignment' stop_ _Details . _Citation_label $cyana1 save_ save_XPLOR-NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Task 'structure refinement' stop_ _Details . _Citation_label $xplor save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details ; standard configuration with triple resonance cryogenic probe equipped with self-shielded single axis gradient coils ; save_ save_750MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details ; standard configuration with triple resonance cryogenic probe equipped with self-shielded single axis gradient coils ; save_ save_600_MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details ; standard configuration with triple resonance probe equipped with self-shielded triple axis gradient coils ; save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NNH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NNH' _Sample_label $sample_2 save_ save_3D_CBCACONNH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCACONNH' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_CCC(CO)NNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCC(CO)NNH' _Sample_label $sample_2 save_ save_3D_H(CCO)NNH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NNH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NNH' _Sample_label $sample_2 save_ save_3D_HCCH_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH TOCSY' _Sample_label $sample_2 save_ save_3D_HCCH_COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH COSY' _Sample_label $sample_2 save_ save_3D_15N-NOESY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-NOESY-HSQC' _Sample_label $sample_2 save_ save_3D_13C-HMQC-NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-HMQC-NOESY' _Sample_label $sample_2 save_ save_3D_13C-NOESY-HSQC_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-NOESY-HSQC' _Sample_label $sample_2 save_ save_1H13C-HMQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name 1H13C-HMQC _Sample_label $sample_3 save_ save_2D_TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details 'pH 6.0, 297 K' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.05 pH temperature 297.0 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CCPNMR_Analysis stop_ loop_ _Experiment_label 1H15N_HSQC 3D_HNCO 3D_CBCA(CO)NNH 3D_CBCACONNH 3D_HN(CA)CO 3D_CCC(CO)NNH 3D_H(CCO)NNH 3D_HBHA(CO)NNH 3D_HCCH_TOCSY 3D_HCCH_COSY 1H13C-HMQC stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name RGS18 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 SER HA H 4.098 0.010 1 2 1 1 SER HB2 H 3.938 0.010 1 3 1 1 SER HB3 H 3.938 0.010 1 4 1 1 SER CA C 56.740 0.100 1 5 1 1 SER CB C 62.866 0.100 1 6 2 2 MET H H 8.722 0.010 1 7 2 2 MET HA H 4.536 0.010 1 8 2 2 MET HB2 H 2.006 0.010 2 9 2 2 MET HB3 H 1.997 0.010 2 10 2 2 MET HG2 H 2.523 0.010 1 11 2 2 MET HG3 H 2.523 0.010 1 12 2 2 MET HE H 2.044 0.010 1 13 2 2 MET C C 175.509 0.100 1 14 2 2 MET CA C 54.917 0.100 1 15 2 2 MET CB C 32.501 0.100 1 16 2 2 MET CG C 31.267 0.100 1 17 2 2 MET CE C 16.346 0.100 1 18 2 2 MET N N 121.579 0.050 1 19 3 3 VAL H H 8.262 0.010 1 20 3 3 VAL HA H 4.143 0.010 1 21 3 3 VAL HB H 2.017 0.010 1 22 3 3 VAL HG1 H 0.870 0.010 2 23 3 3 VAL HG2 H 0.996 0.010 2 24 3 3 VAL C C 174.708 0.100 1 25 3 3 VAL CA C 61.043 0.100 1 26 3 3 VAL CB C 32.627 0.100 1 27 3 3 VAL CG1 C 20.936 0.100 2 28 3 3 VAL CG2 C 21.101 0.100 2 29 3 3 VAL N N 123.582 0.050 1 30 4 4 SER H H 8.595 0.010 1 31 4 4 SER HA H 4.099 0.010 1 32 4 4 SER HB2 H 3.949 0.010 1 33 4 4 SER HB3 H 3.949 0.010 1 34 4 4 SER C C 173.492 0.100 1 35 4 4 SER CA C 55.465 0.100 1 36 4 4 SER CB C 62.697 0.100 1 37 4 4 SER N N 123.184 0.050 1 38 5 5 PRO HA H 4.029 0.010 1 39 5 5 PRO HB2 H 1.754 0.010 2 40 5 5 PRO HB3 H 2.322 0.010 2 41 5 5 PRO HG2 H 1.983 0.010 1 42 5 5 PRO HG3 H 1.983 0.010 1 43 5 5 PRO HD2 H 3.761 0.010 2 44 5 5 PRO HD3 H 3.585 0.010 2 45 5 5 PRO C C 177.729 0.100 1 46 5 5 PRO CA C 64.927 0.100 1 47 5 5 PRO CB C 31.403 0.100 1 48 5 5 PRO CG C 27.319 0.100 1 49 5 5 PRO CD C 50.003 0.100 1 50 6 6 GLU H H 8.284 0.010 1 51 6 6 GLU HA H 3.789 0.010 1 52 6 6 GLU HB2 H 1.872 0.010 1 53 6 6 GLU HB3 H 1.872 0.010 1 54 6 6 GLU HG2 H 2.198 0.010 1 55 6 6 GLU HG3 H 2.198 0.010 1 56 6 6 GLU C C 178.673 0.100 1 57 6 6 GLU CA C 58.978 0.100 1 58 6 6 GLU CB C 28.392 0.100 1 59 6 6 GLU CG C 36.201 0.100 1 60 6 6 GLU N N 114.692 0.050 1 61 7 7 GLU H H 7.436 0.010 1 62 7 7 GLU HA H 3.908 0.010 1 63 7 7 GLU HB2 H 1.997 0.010 2 64 7 7 GLU HB3 H 1.774 0.010 2 65 7 7 GLU HG2 H 2.223 0.010 1 66 7 7 GLU HG3 H 2.223 0.010 1 67 7 7 GLU C C 177.608 0.100 1 68 7 7 GLU CA C 57.511 0.100 1 69 7 7 GLU CB C 28.900 0.100 1 70 7 7 GLU CG C 35.986 0.100 1 71 7 7 GLU N N 118.535 0.050 1 72 8 8 ALA H H 7.360 0.010 1 73 8 8 ALA HA H 1.905 0.010 1 74 8 8 ALA HB H 0.485 0.010 1 75 8 8 ALA C C 181.123 0.100 1 76 8 8 ALA CA C 52.745 0.100 1 77 8 8 ALA CB C 16.303 0.100 1 78 8 8 ALA N N 120.583 0.050 1 79 9 9 VAL H H 8.120 0.010 1 80 9 9 VAL HA H 3.571 0.010 1 81 9 9 VAL HB H 1.950 0.010 1 82 9 9 VAL HG1 H 0.927 0.010 2 83 9 9 VAL HG2 H 0.818 0.010 2 84 9 9 VAL C C 178.177 0.100 1 85 9 9 VAL CA C 65.253 0.100 1 86 9 9 VAL CB C 31.121 0.100 1 87 9 9 VAL CG1 C 20.219 0.100 2 88 9 9 VAL CG2 C 22.288 0.100 2 89 9 9 VAL N N 120.541 0.050 1 90 10 10 LYS H H 6.909 0.010 1 91 10 10 LYS HA H 4.021 0.010 1 92 10 10 LYS HB2 H 1.869 0.010 1 93 10 10 LYS HB3 H 1.869 0.010 1 94 10 10 LYS HG2 H 1.442 0.010 1 95 10 10 LYS HG3 H 1.442 0.010 1 96 10 10 LYS HD2 H 1.693 0.010 1 97 10 10 LYS HD3 H 1.693 0.010 1 98 10 10 LYS HE2 H 2.935 0.010 1 99 10 10 LYS HE3 H 2.935 0.010 1 100 10 10 LYS C C 178.252 0.100 1 101 10 10 LYS CA C 57.974 0.100 1 102 10 10 LYS CB C 31.171 0.100 1 103 10 10 LYS CG C 24.776 0.100 1 104 10 10 LYS CD C 28.681 0.100 1 105 10 10 LYS CE C 41.624 0.100 1 106 10 10 LYS N N 119.604 0.050 1 107 11 11 TRP H H 7.355 0.010 1 108 11 11 TRP HA H 4.495 0.010 1 109 11 11 TRP HB2 H 3.576 0.010 2 110 11 11 TRP HB3 H 3.413 0.010 2 111 11 11 TRP HD1 H 6.667 0.010 1 112 11 11 TRP HE1 H 8.946 0.010 1 113 11 11 TRP HE3 H 7.696 0.010 1 114 11 11 TRP HZ2 H 6.505 0.010 1 115 11 11 TRP HZ3 H 7.091 0.010 1 116 11 11 TRP HH2 H 6.825 0.010 1 117 11 11 TRP C C 177.147 0.100 1 118 11 11 TRP CA C 55.744 0.100 1 119 11 11 TRP CB C 28.777 0.100 1 120 11 11 TRP CD1 C 125.000 0.100 1 121 11 11 TRP CE3 C 119.645 0.100 1 122 11 11 TRP CZ2 C 113.625 0.100 1 123 11 11 TRP CZ3 C 120.251 0.100 1 124 11 11 TRP CH2 C 123.443 0.100 1 125 11 11 TRP N N 116.910 0.050 1 126 11 11 TRP NE1 N 127.500 0.050 1 127 12 12 GLY H H 7.724 0.010 1 128 12 12 GLY HA2 H 4.203 0.010 2 129 12 12 GLY HA3 H 3.815 0.010 2 130 12 12 GLY C C 174.066 0.100 1 131 12 12 GLY CA C 44.742 0.100 1 132 12 12 GLY N N 102.548 0.050 1 133 13 13 GLU H H 7.861 0.010 1 134 13 13 GLU HA H 4.140 0.010 1 135 13 13 GLU HB2 H 2.070 0.010 2 136 13 13 GLU HB3 H 2.140 0.010 2 137 13 13 GLU HG2 H 2.395 0.010 2 138 13 13 GLU HG3 H 2.302 0.010 2 139 13 13 GLU C C 177.044 0.100 1 140 13 13 GLU CA C 57.761 0.100 1 141 13 13 GLU CB C 29.924 0.100 1 142 13 13 GLU CG C 36.192 0.100 1 143 13 13 GLU N N 120.240 0.050 1 144 14 14 SER H H 6.953 0.010 1 145 14 14 SER HA H 4.450 0.010 1 146 14 14 SER HB2 H 4.061 0.010 1 147 14 14 SER HB3 H 4.061 0.010 1 148 14 14 SER C C 174.217 0.100 1 149 14 14 SER CA C 57.373 0.100 1 150 14 14 SER CB C 63.526 0.100 1 151 14 14 SER N N 109.192 0.050 1 152 15 15 PHE H H 8.998 0.010 1 153 15 15 PHE HA H 3.597 0.010 1 154 15 15 PHE HB2 H 2.455 0.010 2 155 15 15 PHE HB3 H 2.110 0.010 2 156 15 15 PHE HD1 H 5.935 0.010 1 157 15 15 PHE HD2 H 5.935 0.010 1 158 15 15 PHE HE1 H 5.849 0.010 1 159 15 15 PHE HE2 H 5.849 0.010 1 160 15 15 PHE HZ H 6.576 0.010 1 161 15 15 PHE C C 176.209 0.100 1 162 15 15 PHE CA C 57.126 0.100 1 163 15 15 PHE CB C 38.312 0.100 1 164 15 15 PHE CD1 C 130.185 0.100 1 165 15 15 PHE CD2 C 130.185 0.100 1 166 15 15 PHE CE1 C 129.073 0.100 1 167 15 15 PHE CE2 C 129.073 0.100 1 168 15 15 PHE CZ C 127.896 0.100 1 169 15 15 PHE N N 123.962 0.050 1 170 16 16 ASP H H 8.126 0.010 1 171 16 16 ASP HA H 3.852 0.010 1 172 16 16 ASP HB2 H 2.577 0.010 2 173 16 16 ASP HB3 H 2.395 0.010 2 174 16 16 ASP C C 178.580 0.100 1 175 16 16 ASP CA C 55.979 0.100 1 176 16 16 ASP CB C 39.293 0.100 1 177 16 16 ASP N N 113.916 0.050 1 178 17 17 LYS H H 7.395 0.010 1 179 17 17 LYS HA H 3.914 0.010 1 180 17 17 LYS HB2 H 2.169 0.010 2 181 17 17 LYS HB3 H 1.835 0.010 2 182 17 17 LYS HG2 H 1.468 0.010 1 183 17 17 LYS HG3 H 1.468 0.010 1 184 17 17 LYS HD2 H 1.700 0.010 1 185 17 17 LYS HD3 H 1.700 0.010 1 186 17 17 LYS HE2 H 2.959 0.010 1 187 17 17 LYS HE3 H 2.959 0.010 1 188 17 17 LYS C C 178.501 0.100 1 189 17 17 LYS CA C 57.946 0.100 1 190 17 17 LYS CB C 31.585 0.100 1 191 17 17 LYS CG C 25.497 0.100 1 192 17 17 LYS CD C 28.600 0.100 1 193 17 17 LYS CE C 41.869 0.100 1 194 17 17 LYS N N 119.438 0.050 1 195 18 18 LEU H H 6.976 0.010 1 196 18 18 LEU HA H 3.587 0.010 1 197 18 18 LEU HB2 H 1.645 0.010 2 198 18 18 LEU HB3 H 1.852 0.010 2 199 18 18 LEU HG H 0.600 0.010 1 200 18 18 LEU HD1 H 0.132 0.010 2 201 18 18 LEU HD2 H 0.383 0.010 2 202 18 18 LEU C C 180.218 0.100 1 203 18 18 LEU CA C 57.739 0.100 1 204 18 18 LEU CB C 40.716 0.100 1 205 18 18 LEU CG C 26.497 0.100 1 206 18 18 LEU CD1 C 25.467 0.100 2 207 18 18 LEU CD2 C 24.860 0.100 2 208 18 18 LEU N N 120.801 0.050 1 209 19 19 LEU H H 6.937 0.010 1 210 19 19 LEU HA H 3.268 0.010 1 211 19 19 LEU HB2 H 0.974 0.010 2 212 19 19 LEU HB3 H 0.806 0.010 2 213 19 19 LEU HG H 0.206 0.010 1 214 19 19 LEU HD1 H -0.423 0.010 2 215 19 19 LEU HD2 H -0.984 0.010 2 216 19 19 LEU C C 177.454 0.100 1 217 19 19 LEU CA C 55.438 0.100 1 218 19 19 LEU CB C 40.474 0.100 1 219 19 19 LEU CG C 24.686 0.100 1 220 19 19 LEU CD1 C 23.277 0.100 2 221 19 19 LEU CD2 C 20.936 0.100 2 222 19 19 LEU N N 111.307 0.050 1 223 20 20 SER H H 7.159 0.010 1 224 20 20 SER HA H 4.161 0.010 1 225 20 20 SER HB2 H 3.876 0.010 1 226 20 20 SER HB3 H 3.900 0.010 1 227 20 20 SER C C 172.945 0.100 1 228 20 20 SER CA C 58.267 0.100 1 229 20 20 SER CB C 63.282 0.100 1 230 20 20 SER N N 108.585 0.050 1 231 21 21 HIS H H 7.346 0.010 1 232 21 21 HIS HA H 4.644 0.010 1 233 21 21 HIS HB2 H 3.140 0.010 2 234 21 21 HIS HB3 H 2.986 0.010 2 235 21 21 HIS HD2 H 7.477 0.010 1 236 21 21 HIS HE1 H 8.486 0.010 1 237 21 21 HIS C C 175.591 0.100 1 238 21 21 HIS CA C 55.294 0.100 1 239 21 21 HIS CB C 32.996 0.100 1 240 21 21 HIS CD2 C 118.658 0.100 1 241 21 21 HIS CE1 C 138.922 0.100 1 242 21 21 HIS N N 124.093 0.050 1 243 22 22 ARG H H 8.911 0.010 1 244 22 22 ARG HA H 3.928 0.010 1 245 22 22 ARG HB2 H 1.833 0.010 2 246 22 22 ARG HB3 H 1.692 0.010 2 247 22 22 ARG HD2 H 3.146 0.010 1 248 22 22 ARG HD3 H 3.146 0.010 1 249 22 22 ARG C C 178.753 0.100 1 250 22 22 ARG CA C 59.633 0.100 1 251 22 22 ARG CB C 29.409 0.100 1 252 22 22 ARG CD C 42.784 0.100 1 253 22 22 ARG N N 128.421 0.050 1 254 23 23 ASP H H 9.710 0.010 1 255 23 23 ASP HA H 4.670 0.010 1 256 23 23 ASP HB2 H 2.911 0.010 1 257 23 23 ASP HB3 H 2.911 0.010 1 258 23 23 ASP C C 178.534 0.100 1 259 23 23 ASP CA C 56.716 0.100 1 260 23 23 ASP CB C 40.535 0.100 1 261 23 23 ASP N N 119.287 0.050 1 262 24 24 GLY H H 7.798 0.010 1 263 24 24 GLY HA2 H 2.568 0.010 2 264 24 24 GLY HA3 H 2.011 0.010 2 265 24 24 GLY C C 174.517 0.100 1 266 24 24 GLY CA C 45.302 0.100 1 267 24 24 GLY N N 115.132 0.050 1 268 25 25 LEU H H 8.403 0.010 1 269 25 25 LEU HA H 3.684 0.010 1 270 25 25 LEU HB2 H 1.653 0.010 1 271 25 25 LEU HB3 H 1.653 0.010 1 272 25 25 LEU HD1 H 1.497 0.010 2 273 25 25 LEU HD2 H 0.904 0.010 2 274 25 25 LEU C C 180.588 0.100 1 275 25 25 LEU CA C 57.587 0.100 1 276 25 25 LEU CB C 41.252 0.100 1 277 25 25 LEU CG C 32.905 0.100 1 278 25 25 LEU CD1 C 25.067 0.100 2 279 25 25 LEU CD2 C 26.729 0.100 2 280 25 25 LEU N N 122.948 0.050 1 281 26 26 GLU H H 7.754 0.010 1 282 26 26 GLU HA H 3.955 0.010 1 283 26 26 GLU HB2 H 2.152 0.010 1 284 26 26 GLU HB3 H 2.152 0.010 1 285 26 26 GLU HG2 H 2.295 0.010 2 286 26 26 GLU HG3 H 2.497 0.010 2 287 26 26 GLU C C 178.385 0.100 1 288 26 26 GLU CA C 59.626 0.100 1 289 26 26 GLU CB C 28.722 0.100 1 290 26 26 GLU CG C 35.709 0.100 1 291 26 26 GLU N N 120.733 0.050 1 292 27 27 ALA H H 8.012 0.010 1 293 27 27 ALA HA H 4.168 0.010 1 294 27 27 ALA HB H 1.702 0.010 1 295 27 27 ALA C C 179.052 0.100 1 296 27 27 ALA CA C 54.918 0.100 1 297 27 27 ALA CB C 17.596 0.100 1 298 27 27 ALA N N 123.308 0.050 1 299 28 28 PHE H H 8.735 0.010 1 300 28 28 PHE HA H 3.838 0.010 1 301 28 28 PHE HB2 H 2.568 0.010 2 302 28 28 PHE HB3 H 2.517 0.010 2 303 28 28 PHE HD1 H 6.431 0.010 1 304 28 28 PHE HD2 H 6.431 0.010 1 305 28 28 PHE HE1 H 7.126 0.010 1 306 28 28 PHE HE2 H 7.126 0.010 1 307 28 28 PHE HZ H 7.332 0.010 1 308 28 28 PHE C C 177.201 0.100 1 309 28 28 PHE CA C 59.649 0.100 1 310 28 28 PHE CB C 39.227 0.100 1 311 28 28 PHE CD1 C 130.635 0.100 1 312 28 28 PHE CD2 C 130.635 0.100 1 313 28 28 PHE CE1 C 128.893 0.100 1 314 28 28 PHE CE2 C 128.893 0.100 1 315 28 28 PHE CZ C 131.093 0.100 1 316 28 28 PHE N N 118.821 0.050 1 317 29 29 THR H H 8.263 0.010 1 318 29 29 THR HA H 4.340 0.010 1 319 29 29 THR HG2 H 1.107 0.010 1 320 29 29 THR C C 175.461 0.100 1 321 29 29 THR CB C 67.499 0.100 1 322 29 29 THR CG2 C 19.872 0.100 1 323 29 29 THR N N 116.067 0.050 1 324 30 30 ARG H H 8.027 0.010 1 325 30 30 ARG HA H 3.839 0.010 1 326 30 30 ARG HB2 H 1.987 0.010 2 327 30 30 ARG HB3 H 2.115 0.010 2 328 30 30 ARG HG2 H 1.872 0.010 2 329 30 30 ARG HG3 H 1.526 0.010 2 330 30 30 ARG HD2 H 3.264 0.010 1 331 30 30 ARG HD3 H 3.264 0.010 1 332 30 30 ARG HE H 7.755 0.010 1 333 30 30 ARG C C 179.264 0.100 1 334 30 30 ARG CA C 59.741 0.100 1 335 30 30 ARG CB C 29.564 0.100 1 336 30 30 ARG CG C 27.558 0.100 1 337 30 30 ARG CD C 43.315 0.100 1 338 30 30 ARG N N 121.297 0.050 1 339 30 30 ARG NE N 84.506 0.050 1 340 31 31 PHE H H 8.293 0.010 1 341 31 31 PHE HA H 4.184 0.010 1 342 31 31 PHE HB2 H 3.417 0.010 1 343 31 31 PHE HB3 H 3.683 0.010 2 344 31 31 PHE HD1 H 7.342 0.010 1 345 31 31 PHE HD2 H 7.342 0.010 1 346 31 31 PHE HE1 H 7.150 0.010 1 347 31 31 PHE HE2 H 7.150 0.010 1 348 31 31 PHE C C 177.802 0.100 1 349 31 31 PHE CA C 60.955 0.100 1 350 31 31 PHE CB C 39.142 0.100 1 351 31 31 PHE CD1 C 131.425 0.100 1 352 31 31 PHE CD2 C 131.425 0.100 1 353 31 31 PHE CE1 C 131.393 0.100 1 354 31 31 PHE CE2 C 131.393 0.100 1 355 31 31 PHE N N 120.061 0.050 1 356 32 32 LEU H H 8.660 0.010 1 357 32 32 LEU HA H 3.469 0.010 1 358 32 32 LEU HB2 H 1.590 0.010 2 359 32 32 LEU HB3 H 0.864 0.010 2 360 32 32 LEU HG H 0.986 0.010 1 361 32 32 LEU HD1 H 0.488 0.010 2 362 32 32 LEU HD2 H 0.479 0.010 2 363 32 32 LEU C C 180.108 0.100 1 364 32 32 LEU CA C 57.241 0.100 1 365 32 32 LEU CB C 39.552 0.100 1 366 32 32 LEU CG C 25.243 0.100 1 367 32 32 LEU CD1 C 25.659 0.100 2 368 32 32 LEU CD2 C 26.227 0.100 2 369 32 32 LEU N N 121.687 0.050 1 370 33 33 LYS H H 8.323 0.010 1 371 33 33 LYS HA H 4.142 0.010 1 372 33 33 LYS HB2 H 1.786 0.010 1 373 33 33 LYS HB3 H 1.786 0.010 1 374 33 33 LYS HG2 H 1.196 0.010 1 375 33 33 LYS HG3 H 1.196 0.010 1 376 33 33 LYS HD2 H 1.562 0.010 1 377 33 33 LYS HD3 H 1.562 0.010 1 378 33 33 LYS HE2 H 2.803 0.010 1 379 33 33 LYS HE3 H 2.803 0.010 1 380 33 33 LYS C C 180.575 0.100 1 381 33 33 LYS CA C 59.113 0.100 1 382 33 33 LYS CB C 31.585 0.100 1 383 33 33 LYS CG C 25.285 0.100 1 384 33 33 LYS CD C 28.918 0.100 1 385 33 33 LYS CE C 41.565 0.100 1 386 33 33 LYS N N 119.666 0.050 1 387 34 34 THR H H 7.473 0.010 1 388 34 34 THR HA H 4.061 0.010 1 389 34 34 THR HB H 3.977 0.010 1 390 34 34 THR HG2 H 1.329 0.010 1 391 34 34 THR C C 174.014 0.100 1 392 34 34 THR CA C 64.002 0.100 1 393 34 34 THR CB C 68.728 0.100 1 394 34 34 THR CG2 C 21.053 0.100 1 395 34 34 THR N N 111.829 0.050 1 396 35 35 GLU H H 6.673 0.010 1 397 35 35 GLU HA H 4.220 0.010 1 398 35 35 GLU HB2 H 1.935 0.010 2 399 35 35 GLU HB3 H 1.975 0.010 2 400 35 35 GLU HG2 H 1.614 0.010 1 401 35 35 GLU HG3 H 1.614 0.010 1 402 35 35 GLU C C 174.966 0.100 1 403 35 35 GLU CA C 54.407 0.100 1 404 35 35 GLU CB C 28.899 0.100 1 405 35 35 GLU CG C 35.251 0.100 1 406 35 35 GLU N N 116.995 0.050 1 407 36 36 PHE H H 7.293 0.010 1 408 36 36 PHE HA H 4.450 0.010 1 409 36 36 PHE HB2 H 3.301 0.010 2 410 36 36 PHE HB3 H 3.192 0.010 2 411 36 36 PHE HD1 H 7.174 0.010 1 412 36 36 PHE HD2 H 7.174 0.010 1 413 36 36 PHE HE1 H 7.296 0.010 1 414 36 36 PHE HE2 H 7.296 0.010 1 415 36 36 PHE C C 175.570 0.100 1 416 36 36 PHE CA C 57.982 0.100 1 417 36 36 PHE CB C 35.234 0.100 1 418 36 36 PHE N N 117.723 0.050 1 419 37 37 SER H H 7.928 0.010 1 420 37 37 SER HA H 5.188 0.010 1 421 37 37 SER HB2 H 3.762 0.010 1 422 37 37 SER HB3 H 3.762 0.010 1 423 37 37 SER C C 175.577 0.100 1 424 37 37 SER CA C 56.564 0.100 1 425 37 37 SER CB C 64.056 0.100 1 426 37 37 SER N N 111.567 0.050 1 427 38 38 GLU H H 9.892 0.010 1 428 38 38 GLU HA H 4.003 0.010 1 429 38 38 GLU HB2 H 1.934 0.010 2 430 38 38 GLU HB3 H 1.742 0.010 2 431 38 38 GLU HG2 H 2.161 0.010 1 432 38 38 GLU HG3 H 2.161 0.010 1 433 38 38 GLU C C 175.925 0.100 1 434 38 38 GLU CA C 58.040 0.100 1 435 38 38 GLU CB C 27.176 0.100 1 436 38 38 GLU CG C 34.952 0.100 1 437 38 38 GLU N N 122.776 0.050 1 438 39 39 GLU H H 10.505 0.010 1 439 39 39 GLU HA H 4.284 0.010 1 440 39 39 GLU C C 176.929 0.100 1 441 39 39 GLU CA C 59.315 0.100 1 442 39 39 GLU CB C 26.689 0.100 1 443 39 39 GLU CG C 34.081 0.100 1 444 39 39 GLU N N 125.475 0.050 1 445 40 40 ASN H H 7.579 0.010 1 446 40 40 ASN HA H 4.582 0.010 1 447 40 40 ASN HB2 H 2.795 0.010 2 448 40 40 ASN HB3 H 2.679 0.010 2 449 40 40 ASN C C 176.554 0.100 1 450 40 40 ASN CA C 56.060 0.100 1 451 40 40 ASN CB C 38.532 0.100 1 452 40 40 ASN N N 117.385 0.050 1 453 41 41 ILE H H 6.698 0.010 1 454 41 41 ILE HA H 4.603 0.010 1 455 41 41 ILE HB H 1.755 0.010 1 456 41 41 ILE HG12 H 0.990 0.010 2 457 41 41 ILE HG13 H 1.395 0.010 2 458 41 41 ILE HG2 H 1.187 0.010 1 459 41 41 ILE HD1 H 0.888 0.010 1 460 41 41 ILE C C 176.386 0.100 1 461 41 41 ILE CA C 58.220 0.100 1 462 41 41 ILE CB C 37.975 0.100 1 463 41 41 ILE CG2 C 20.070 0.100 1 464 41 41 ILE CD1 C 14.195 0.100 1 465 41 41 ILE N N 117.450 0.050 1 466 42 42 GLU H H 8.334 0.010 1 467 42 42 GLU HA H 3.930 0.010 1 468 42 42 GLU HB2 H 2.288 0.010 1 469 42 42 GLU HB3 H 2.288 0.010 1 470 42 42 GLU HG2 H 2.156 0.010 2 471 42 42 GLU HG3 H 2.506 0.010 2 472 42 42 GLU C C 179.552 0.100 1 473 42 42 GLU CA C 59.512 0.100 1 474 42 42 GLU CB C 28.659 0.100 1 475 42 42 GLU CG C 36.327 0.100 1 476 42 42 GLU N N 124.540 0.050 1 477 43 43 PHE H H 8.436 0.010 1 478 43 43 PHE HA H 2.875 0.010 1 479 43 43 PHE HB2 H 2.603 0.010 2 480 43 43 PHE HB3 H 2.870 0.010 2 481 43 43 PHE HD1 H 6.580 0.010 1 482 43 43 PHE HD2 H 6.580 0.010 1 483 43 43 PHE HE1 H 6.682 0.010 1 484 43 43 PHE HE2 H 6.682 0.010 1 485 43 43 PHE HZ H 6.798 0.010 1 486 43 43 PHE C C 176.045 0.100 1 487 43 43 PHE CA C 59.335 0.100 1 488 43 43 PHE CB C 38.634 0.100 1 489 43 43 PHE CD1 C 130.662 0.100 1 490 43 43 PHE CD2 C 130.662 0.100 1 491 43 43 PHE CE1 C 129.618 0.100 1 492 43 43 PHE CE2 C 129.618 0.100 1 493 43 43 PHE CZ C 128.415 0.100 1 494 43 43 PHE N N 121.458 0.050 1 495 44 44 TRP H H 7.959 0.010 1 496 44 44 TRP HA H 3.680 0.010 1 497 44 44 TRP HB2 H 3.249 0.010 1 498 44 44 TRP HB3 H 3.249 0.010 1 499 44 44 TRP HD1 H 7.052 0.010 1 500 44 44 TRP HE1 H 10.594 0.010 1 501 44 44 TRP HE3 H 7.273 0.010 1 502 44 44 TRP HZ2 H 7.123 0.010 1 503 44 44 TRP HZ3 H 6.907 0.010 1 504 44 44 TRP HH2 H 6.903 0.010 1 505 44 44 TRP C C 177.501 0.100 1 506 44 44 TRP CA C 64.397 0.100 1 507 44 44 TRP CB C 29.187 0.100 1 508 44 44 TRP CD1 C 122.994 0.100 1 509 44 44 TRP CE3 C 119.225 0.100 1 510 44 44 TRP CZ2 C 114.189 0.100 1 511 44 44 TRP CZ3 C 121.944 0.100 1 512 44 44 TRP CH2 C 125.182 0.100 1 513 44 44 TRP N N 122.065 0.050 1 514 44 44 TRP NE1 N 130.099 0.050 1 515 45 45 ILE H H 8.826 0.010 1 516 45 45 ILE HA H 3.255 0.010 1 517 45 45 ILE HB H 1.874 0.010 1 518 45 45 ILE HG12 H 1.309 0.010 1 519 45 45 ILE HG13 H 1.309 0.010 1 520 45 45 ILE HG2 H 0.885 0.010 1 521 45 45 ILE HD1 H 0.909 0.010 1 522 45 45 ILE C C 178.391 0.100 1 523 45 45 ILE CA C 64.505 0.100 1 524 45 45 ILE CB C 37.993 0.100 1 525 45 45 ILE CG2 C 16.270 0.100 1 526 45 45 ILE CD1 C 13.867 0.100 1 527 45 45 ILE N N 117.843 0.050 1 528 46 46 ALA H H 7.953 0.010 1 529 46 46 ALA HA H 4.087 0.010 1 530 46 46 ALA HB H 1.340 0.010 1 531 46 46 ALA C C 181.458 0.100 1 532 46 46 ALA CA C 54.456 0.100 1 533 46 46 ALA CB C 17.436 0.100 1 534 46 46 ALA N N 123.399 0.050 1 535 47 47 CYS H H 7.835 0.010 1 536 47 47 CYS HA H 3.577 0.010 1 537 47 47 CYS HB2 H 1.932 0.010 1 538 47 47 CYS HB3 H 1.921 0.010 1 539 47 47 CYS C C 176.286 0.100 1 540 47 47 CYS CA C 63.780 0.100 1 541 47 47 CYS CB C 25.309 0.100 1 542 47 47 CYS N N 118.869 0.050 1 543 48 48 GLU H H 7.339 0.010 1 544 48 48 GLU HA H 3.488 0.010 1 545 48 48 GLU HB2 H 1.502 0.010 2 546 48 48 GLU HB3 H 1.327 0.010 2 547 48 48 GLU C C 178.900 0.100 1 548 48 48 GLU CA C 58.089 0.100 1 549 48 48 GLU CB C 28.615 0.100 1 550 48 48 GLU CG C 34.616 0.100 1 551 48 48 GLU N N 119.866 0.050 1 552 49 49 ASP H H 7.745 0.010 1 553 49 49 ASP HA H 4.126 0.010 1 554 49 49 ASP HB2 H 2.500 0.010 2 555 49 49 ASP HB3 H 2.581 0.010 2 556 49 49 ASP C C 178.546 0.100 1 557 49 49 ASP CA C 56.606 0.100 1 558 49 49 ASP CB C 41.308 0.100 1 559 49 49 ASP N N 118.772 0.050 1 560 50 50 PHE H H 8.318 0.010 1 561 50 50 PHE HA H 3.743 0.010 1 562 50 50 PHE HB2 H 3.179 0.010 1 563 50 50 PHE HB3 H 3.179 0.010 1 564 50 50 PHE HD1 H 7.084 0.010 1 565 50 50 PHE HD2 H 7.084 0.010 1 566 50 50 PHE HE1 H 7.764 0.010 1 567 50 50 PHE HE2 H 7.764 0.010 1 568 50 50 PHE HZ H 7.145 0.010 1 569 50 50 PHE C C 177.746 0.100 1 570 50 50 PHE CA C 60.569 0.100 1 571 50 50 PHE CB C 38.559 0.100 1 572 50 50 PHE CD1 C 130.808 0.100 1 573 50 50 PHE CD2 C 130.808 0.100 1 574 50 50 PHE CE1 C 131.915 0.100 1 575 50 50 PHE CE2 C 131.915 0.100 1 576 50 50 PHE CZ C 130.132 0.100 1 577 50 50 PHE N N 122.435 0.050 1 578 51 51 LYS H H 7.472 0.010 1 579 51 51 LYS HA H 3.643 0.010 1 580 51 51 LYS HB2 H 1.706 0.010 1 581 51 51 LYS HB3 H 1.706 0.010 1 582 51 51 LYS HD2 H 1.454 0.010 1 583 51 51 LYS HD3 H 1.438 0.010 1 584 51 51 LYS HE2 H 2.751 0.010 1 585 51 51 LYS HE3 H 2.751 0.010 1 586 51 51 LYS C C 175.982 0.100 1 587 51 51 LYS CA C 58.380 0.100 1 588 51 51 LYS CB C 31.710 0.100 1 589 51 51 LYS CD C 29.108 0.100 1 590 51 51 LYS CE C 41.735 0.100 1 591 51 51 LYS N N 116.481 0.050 1 592 52 52 LYS H H 7.077 0.010 1 593 52 52 LYS HA H 4.221 0.010 1 594 52 52 LYS HB2 H 1.665 0.010 2 595 52 52 LYS HB3 H 1.958 0.010 2 596 52 52 LYS HG2 H 1.278 0.010 2 597 52 52 LYS HG3 H 1.428 0.010 2 598 52 52 LYS HD2 H 1.553 0.010 1 599 52 52 LYS HD3 H 1.553 0.010 1 600 52 52 LYS HE2 H 2.843 0.010 1 601 52 52 LYS HE3 H 2.843 0.010 1 602 52 52 LYS C C 176.238 0.100 1 603 52 52 LYS CA C 55.054 0.100 1 604 52 52 LYS CB C 31.465 0.100 1 605 52 52 LYS CG C 24.341 0.100 1 606 52 52 LYS CD C 28.681 0.100 1 607 52 52 LYS CE C 41.636 0.100 1 608 52 52 LYS N N 117.321 0.050 1 609 53 53 SER H H 7.332 0.010 1 610 53 53 SER HA H 4.082 0.010 1 611 53 53 SER HB2 H 3.383 0.010 1 612 53 53 SER HB3 H 3.383 0.010 1 613 53 53 SER C C 172.815 0.100 1 614 53 53 SER CA C 60.132 0.100 1 615 53 53 SER CB C 64.244 0.100 1 616 53 53 SER N N 116.291 0.050 1 617 54 54 LYS H H 8.493 0.010 1 618 54 54 LYS HA H 2.346 0.010 1 619 54 54 LYS HB2 H 1.679 0.010 1 620 54 54 LYS HB3 H 1.679 0.010 1 621 54 54 LYS HG2 H 1.399 0.010 2 622 54 54 LYS HG3 H 4.177 0.010 2 623 54 54 LYS HD2 H 1.593 0.010 1 624 54 54 LYS HD3 H 1.593 0.010 1 625 54 54 LYS HE2 H 2.916 0.010 1 626 54 54 LYS HE3 H 2.916 0.010 1 627 54 54 LYS C C 175.915 0.100 1 628 54 54 LYS CA C 54.805 0.100 1 629 54 54 LYS CB C 33.658 0.100 1 630 54 54 LYS CG C 23.847 0.100 1 631 54 54 LYS CD C 28.405 0.100 1 632 54 54 LYS CE C 41.480 0.100 1 633 54 54 LYS N N 122.735 0.050 1 634 55 55 GLY H H 8.133 0.010 1 635 55 55 GLY HA2 H 4.026 0.010 2 636 55 55 GLY HA3 H 4.246 0.010 2 637 55 55 GLY C C 171.432 0.100 1 638 55 55 GLY CA C 43.454 0.100 1 639 55 55 GLY N N 111.588 0.050 1 640 56 56 PRO HA H 4.215 0.010 1 641 56 56 PRO HB2 H 1.993 0.010 2 642 56 56 PRO HB3 H 2.288 0.010 2 643 56 56 PRO HG2 H 2.052 0.010 1 644 56 56 PRO HG3 H 2.052 0.010 1 645 56 56 PRO HD2 H 3.770 0.010 2 646 56 56 PRO HD3 H 3.638 0.010 2 647 56 56 PRO C C 179.076 0.100 1 648 56 56 PRO CA C 64.570 0.100 1 649 56 56 PRO CB C 31.378 0.100 1 650 56 56 PRO CG C 26.961 0.100 1 651 56 56 PRO CD C 49.559 0.100 1 652 57 57 GLN H H 8.357 0.010 1 653 57 57 GLN HA H 4.148 0.010 1 654 57 57 GLN HB2 H 2.070 0.010 1 655 57 57 GLN HB3 H 2.070 0.010 1 656 57 57 GLN HG2 H 2.402 0.010 1 657 57 57 GLN HG3 H 2.402 0.010 1 658 57 57 GLN C C 178.347 0.100 1 659 57 57 GLN CA C 59.182 0.100 1 660 57 57 GLN CB C 27.217 0.100 1 661 57 57 GLN CG C 33.612 0.100 1 662 57 57 GLN N N 118.897 0.050 1 663 58 58 GLN H H 8.309 0.010 1 664 58 58 GLN HA H 4.064 0.010 1 665 58 58 GLN HB2 H 2.013 0.010 1 666 58 58 GLN HB3 H 2.013 0.010 1 667 58 58 GLN HG2 H 2.318 0.010 2 668 58 58 GLN HG3 H 2.523 0.010 2 669 58 58 GLN C C 177.841 0.100 1 670 58 58 GLN CA C 58.768 0.100 1 671 58 58 GLN CB C 28.674 0.100 1 672 58 58 GLN CG C 34.201 0.100 1 673 58 58 GLN N N 119.743 0.050 1 674 59 59 ILE H H 7.891 0.010 1 675 59 59 ILE HA H 3.581 0.010 1 676 59 59 ILE HB H 1.707 0.010 1 677 59 59 ILE HG12 H 1.556 0.010 1 678 59 59 ILE HG13 H 1.556 0.010 1 679 59 59 ILE HG2 H 0.695 0.010 1 680 59 59 ILE HD1 H 0.536 0.010 1 681 59 59 ILE C C 177.655 0.100 1 682 59 59 ILE CA C 65.197 0.100 1 683 59 59 ILE CB C 37.406 0.100 1 684 59 59 ILE CG1 C 29.859 0.100 1 685 59 59 ILE CG2 C 16.077 0.100 1 686 59 59 ILE CD1 C 12.762 0.100 1 687 59 59 ILE N N 118.123 0.050 1 688 60 60 HIS H H 8.141 0.010 1 689 60 60 HIS HA H 4.141 0.010 1 690 60 60 HIS HB2 H 3.240 0.010 1 691 60 60 HIS HB3 H 3.240 0.010 1 692 60 60 HIS HD2 H 7.069 0.010 1 693 60 60 HIS HE1 H 8.037 0.010 1 694 60 60 HIS C C 177.620 0.100 1 695 60 60 HIS CA C 59.897 0.100 1 696 60 60 HIS CB C 28.982 0.100 1 697 60 60 HIS CD2 C 119.769 0.100 1 698 60 60 HIS CE1 C 136.949 0.100 1 699 60 60 HIS N N 116.625 0.050 1 700 61 61 LEU H H 8.178 0.010 1 701 61 61 LEU HA H 4.026 0.010 1 702 61 61 LEU HB2 H 1.881 0.010 2 703 61 61 LEU HB3 H 1.625 0.010 2 704 61 61 LEU HG H 1.812 0.010 1 705 61 61 LEU HD1 H 0.887 0.010 1 706 61 61 LEU HD2 H 0.887 0.010 1 707 61 61 LEU C C 180.569 0.100 1 708 61 61 LEU CA C 57.951 0.100 1 709 61 61 LEU CB C 41.871 0.100 1 710 61 61 LEU CG C 26.562 0.100 1 711 61 61 LEU CD1 C 23.536 0.100 2 712 61 61 LEU CD2 C 24.854 0.100 2 713 61 61 LEU N N 119.431 0.050 1 714 62 62 LYS H H 8.809 0.010 1 715 62 62 LYS HA H 4.170 0.010 1 716 62 62 LYS HB2 H 2.244 0.010 2 717 62 62 LYS HB3 H 1.941 0.010 2 718 62 62 LYS HG2 H 1.617 0.010 1 719 62 62 LYS HG3 H 1.617 0.010 1 720 62 62 LYS HD2 H 1.744 0.010 1 721 62 62 LYS HD3 H 1.744 0.010 1 722 62 62 LYS HE2 H 2.886 0.010 1 723 62 62 LYS HE3 H 2.886 0.010 1 724 62 62 LYS C C 179.143 0.100 1 725 62 62 LYS CA C 59.269 0.100 1 726 62 62 LYS CB C 33.138 0.100 1 727 62 62 LYS CG C 26.903 0.100 1 728 62 62 LYS CD C 29.113 0.100 1 729 62 62 LYS CE C 41.814 0.100 1 730 62 62 LYS N N 118.870 0.050 1 731 63 63 ALA H H 8.605 0.010 1 732 63 63 ALA HA H 3.912 0.010 1 733 63 63 ALA HB H 1.576 0.010 1 734 63 63 ALA C C 179.094 0.100 1 735 63 63 ALA CA C 54.719 0.100 1 736 63 63 ALA CB C 17.521 0.100 1 737 63 63 ALA N N 121.565 0.050 1 738 64 64 LYS H H 7.767 0.010 1 739 64 64 LYS HA H 3.904 0.010 1 740 64 64 LYS HB2 H 1.879 0.010 1 741 64 64 LYS HB3 H 1.879 0.010 1 742 64 64 LYS HG2 H 1.381 0.010 1 743 64 64 LYS HG3 H 1.381 0.010 1 744 64 64 LYS HD2 H 1.633 0.010 1 745 64 64 LYS HD3 H 1.633 0.010 1 746 64 64 LYS HE2 H 2.959 0.010 1 747 64 64 LYS HE3 H 2.959 0.010 1 748 64 64 LYS C C 177.628 0.100 1 749 64 64 LYS CA C 59.236 0.100 1 750 64 64 LYS CB C 31.836 0.100 1 751 64 64 LYS CG C 24.154 0.100 1 752 64 64 LYS CD C 29.056 0.100 1 753 64 64 LYS CE C 41.219 0.100 1 754 64 64 LYS N N 118.169 0.050 1 755 65 65 ALA H H 7.615 0.010 1 756 65 65 ALA HA H 4.169 0.010 1 757 65 65 ALA HB H 1.492 0.010 1 758 65 65 ALA C C 181.024 0.100 1 759 65 65 ALA CA C 54.489 0.100 1 760 65 65 ALA CB C 17.409 0.100 1 761 65 65 ALA N N 119.755 0.050 1 762 66 66 ILE H H 8.000 0.010 1 763 66 66 ILE HA H 3.775 0.010 1 764 66 66 ILE HB H 1.470 0.010 1 765 66 66 ILE HG12 H 1.703 0.010 2 766 66 66 ILE HG13 H 0.886 0.010 2 767 66 66 ILE HG2 H 0.273 0.010 1 768 66 66 ILE HD1 H 0.160 0.010 1 769 66 66 ILE C C 177.948 0.100 1 770 66 66 ILE CA C 64.792 0.100 1 771 66 66 ILE CB C 37.373 0.100 1 772 66 66 ILE CG1 C 30.127 0.100 1 773 66 66 ILE CG2 C 17.670 0.100 1 774 66 66 ILE CD1 C 12.824 0.100 1 775 66 66 ILE N N 119.284 0.050 1 776 67 67 TYR H H 8.653 0.010 1 777 67 67 TYR HA H 4.013 0.010 1 778 67 67 TYR HB2 H 3.152 0.010 2 779 67 67 TYR HB3 H 3.289 0.010 2 780 67 67 TYR HD1 H 6.905 0.010 1 781 67 67 TYR HD2 H 6.905 0.010 1 782 67 67 TYR HE1 H 6.799 0.010 1 783 67 67 TYR HE2 H 6.799 0.010 1 784 67 67 TYR C C 177.858 0.100 1 785 67 67 TYR CA C 61.179 0.100 1 786 67 67 TYR CB C 38.968 0.100 1 787 67 67 TYR CD1 C 132.262 0.100 1 788 67 67 TYR CD2 C 132.262 0.100 1 789 67 67 TYR CE1 C 117.527 0.100 1 790 67 67 TYR CE2 C 117.527 0.100 1 791 67 67 TYR N N 121.483 0.050 1 792 68 68 GLU H H 8.626 0.010 1 793 68 68 GLU HA H 3.753 0.010 1 794 68 68 GLU HB2 H 1.873 0.010 2 795 68 68 GLU HB3 H 1.892 0.010 2 796 68 68 GLU HG2 H 2.267 0.010 2 797 68 68 GLU HG3 H 2.730 0.010 2 798 68 68 GLU C C 176.704 0.100 1 799 68 68 GLU CA C 57.871 0.100 1 800 68 68 GLU CB C 28.968 0.100 1 801 68 68 GLU CG C 36.795 0.100 1 802 68 68 GLU N N 117.122 0.050 1 803 69 69 LYS H H 7.490 0.010 1 804 69 69 LYS HA H 3.856 0.010 1 805 69 69 LYS HB2 H 1.098 0.010 2 806 69 69 LYS HB3 H 1.454 0.010 2 807 69 69 LYS HG2 H 0.720 0.010 1 808 69 69 LYS HG3 H 0.720 0.010 1 809 69 69 LYS HD2 H 1.205 0.010 1 810 69 69 LYS HD3 H 1.205 0.010 1 811 69 69 LYS HE2 H 2.633 0.010 2 812 69 69 LYS HE3 H 2.501 0.010 2 813 69 69 LYS C C 176.194 0.100 1 814 69 69 LYS CA C 58.124 0.100 1 815 69 69 LYS CB C 33.352 0.100 1 816 69 69 LYS CG C 24.440 0.100 1 817 69 69 LYS CD C 28.906 0.100 1 818 69 69 LYS CE C 41.288 0.100 1 819 69 69 LYS N N 116.943 0.050 1 820 70 70 PHE H H 7.969 0.010 1 821 70 70 PHE HA H 4.749 0.010 1 822 70 70 PHE HB2 H 2.856 0.010 2 823 70 70 PHE HB3 H 2.586 0.010 2 824 70 70 PHE HD1 H 6.599 0.010 1 825 70 70 PHE HD2 H 6.599 0.010 1 826 70 70 PHE C C 174.944 0.100 1 827 70 70 PHE CA C 57.023 0.100 1 828 70 70 PHE CB C 42.368 0.100 1 829 70 70 PHE N N 109.794 0.050 1 830 71 71 ILE H H 7.313 0.010 1 831 71 71 ILE HA H 4.187 0.010 1 832 71 71 ILE HB H 2.014 0.010 1 833 71 71 ILE HG12 H 1.465 0.010 2 834 71 71 ILE HG13 H 1.394 0.010 2 835 71 71 ILE HG2 H 0.796 0.010 1 836 71 71 ILE HD1 H 0.589 0.010 1 837 71 71 ILE C C 174.775 0.100 1 838 71 71 ILE CA C 59.565 0.100 1 839 71 71 ILE CB C 36.664 0.100 1 840 71 71 ILE CG1 C 26.486 0.100 1 841 71 71 ILE CG2 C 17.356 0.100 1 842 71 71 ILE CD1 C 10.043 0.100 1 843 71 71 ILE N N 116.172 0.050 1 844 72 72 GLN H H 7.274 0.010 1 845 72 72 GLN HA H 3.641 0.010 1 846 72 72 GLN HB2 H 1.626 0.010 2 847 72 72 GLN HB3 H 1.316 0.010 2 848 72 72 GLN HG2 H 2.254 0.010 2 849 72 72 GLN HG3 H 1.985 0.010 2 850 72 72 GLN C C 173.492 0.100 1 851 72 72 GLN CA C 54.921 0.100 1 852 72 72 GLN CB C 28.567 0.100 1 853 72 72 GLN CG C 31.990 0.100 1 854 72 72 GLN N N 117.719 0.050 1 855 73 73 THR H H 8.089 0.010 1 856 73 73 THR HA H 3.822 0.010 1 857 73 73 THR HB H 3.805 0.010 1 858 73 73 THR HG2 H 1.166 0.010 1 859 73 73 THR C C 175.464 0.100 1 860 73 73 THR CA C 64.537 0.100 1 861 73 73 THR CB C 68.505 0.100 1 862 73 73 THR CG2 C 21.595 0.100 1 863 73 73 THR N N 118.830 0.050 1 864 74 74 ASP H H 8.757 0.010 1 865 74 74 ASP HA H 4.207 0.010 1 866 74 74 ASP HB2 H 2.806 0.010 1 867 74 74 ASP HB3 H 2.806 0.010 1 868 74 74 ASP C C 175.004 0.100 1 869 74 74 ASP CA C 55.751 0.100 1 870 74 74 ASP CB C 37.895 0.100 1 871 74 74 ASP N N 122.040 0.050 1 872 75 75 ALA H H 7.871 0.010 1 873 75 75 ALA HA H 4.065 0.010 1 874 75 75 ALA HB H 1.019 0.010 1 875 75 75 ALA C C 176.590 0.100 1 876 75 75 ALA CA C 50.439 0.100 1 877 75 75 ALA CB C 16.519 0.100 1 878 75 75 ALA N N 123.154 0.050 1 879 76 76 PRO HA H 4.227 0.010 1 880 76 76 PRO HB2 H 2.275 0.010 2 881 76 76 PRO HB3 H 1.820 0.010 2 882 76 76 PRO HG2 H 1.998 0.010 1 883 76 76 PRO HG3 H 1.998 0.010 1 884 76 76 PRO HD2 H 3.547 0.010 2 885 76 76 PRO HD3 H 4.050 0.010 2 886 76 76 PRO C C 177.602 0.100 1 887 76 76 PRO CA C 64.033 0.100 1 888 76 76 PRO CB C 31.292 0.100 1 889 76 76 PRO CG C 26.995 0.100 1 890 76 76 PRO CD C 49.279 0.100 1 891 77 77 LYS H H 7.561 0.010 1 892 77 77 LYS HA H 4.522 0.010 1 893 77 77 LYS HB2 H 1.188 0.010 2 894 77 77 LYS HB3 H 1.749 0.010 2 895 77 77 LYS HG2 H 1.304 0.010 1 896 77 77 LYS HG3 H 1.304 0.010 1 897 77 77 LYS HD2 H 1.659 0.010 1 898 77 77 LYS HD3 H 1.659 0.010 1 899 77 77 LYS HE2 H 2.828 0.010 1 900 77 77 LYS HE3 H 2.828 0.010 1 901 77 77 LYS C C 173.268 0.100 1 902 77 77 LYS CA C 52.468 0.100 1 903 77 77 LYS CB C 31.764 0.100 1 904 77 77 LYS CD C 29.069 0.100 1 905 77 77 LYS CE C 41.548 0.100 1 906 77 77 LYS N N 118.191 0.050 1 907 78 78 GLU H H 6.300 0.010 1 908 78 78 GLU HA H 3.727 0.010 1 909 78 78 GLU HB2 H 1.980 0.010 2 910 78 78 GLU HB3 H 1.693 0.010 2 911 78 78 GLU HG2 H 1.995 0.010 1 912 78 78 GLU HG3 H 1.995 0.010 1 913 78 78 GLU C C 177.239 0.100 1 914 78 78 GLU CA C 56.451 0.100 1 915 78 78 GLU CB C 30.024 0.100 1 916 78 78 GLU CG C 34.685 0.100 1 917 78 78 GLU N N 115.905 0.050 1 918 79 79 VAL H H 8.186 0.010 1 919 79 79 VAL HA H 4.411 0.010 1 920 79 79 VAL HB H 1.731 0.010 1 921 79 79 VAL HG1 H 0.287 0.010 2 922 79 79 VAL HG2 H 0.776 0.010 2 923 79 79 VAL C C 175.813 0.100 1 924 79 79 VAL CA C 59.254 0.100 1 925 79 79 VAL CB C 33.252 0.100 1 926 79 79 VAL CG1 C 17.873 0.100 2 927 79 79 VAL CG2 C 21.604 0.100 2 928 79 79 VAL N N 122.766 0.050 1 929 80 80 ASN H H 9.061 0.010 1 930 80 80 ASN HA H 4.586 0.010 1 931 80 80 ASN HB2 H 2.865 0.010 2 932 80 80 ASN HB3 H 2.676 0.010 2 933 80 80 ASN HD21 H 6.814 0.010 2 934 80 80 ASN HD22 H 7.440 0.010 2 935 80 80 ASN C C 174.103 0.100 1 936 80 80 ASN CA C 52.876 0.100 1 937 80 80 ASN CB C 37.087 0.100 1 938 80 80 ASN N N 122.803 0.050 1 939 80 80 ASN ND2 N 111.369 0.050 1 940 81 81 LEU H H 7.649 0.010 1 941 81 81 LEU HA H 4.497 0.010 1 942 81 81 LEU HB2 H 1.293 0.010 2 943 81 81 LEU HB3 H 1.535 0.010 2 944 81 81 LEU HG H 1.477 0.010 1 945 81 81 LEU HD1 H 0.817 0.010 2 946 81 81 LEU HD2 H 0.664 0.010 2 947 81 81 LEU C C 175.671 0.100 1 948 81 81 LEU CA C 52.426 0.100 1 949 81 81 LEU CB C 45.091 0.100 1 950 81 81 LEU CG C 26.400 0.100 1 951 81 81 LEU CD1 C 22.994 0.100 2 952 81 81 LEU CD2 C 25.922 0.100 2 953 81 81 LEU N N 123.972 0.050 1 954 82 82 ASP H H 8.170 0.010 1 955 82 82 ASP HA H 4.546 0.010 1 956 82 82 ASP HB2 H 2.901 0.010 2 957 82 82 ASP HB3 H 2.686 0.010 2 958 82 82 ASP C C 175.317 0.100 1 959 82 82 ASP CA C 52.582 0.100 1 960 82 82 ASP CB C 41.041 0.100 1 961 82 82 ASP N N 118.813 0.050 1 962 83 83 PHE H H 8.708 0.010 1 963 83 83 PHE HA H 4.053 0.010 1 964 83 83 PHE HB2 H 3.244 0.010 2 965 83 83 PHE HB3 H 3.018 0.010 2 966 83 83 PHE HD1 H 7.151 0.010 1 967 83 83 PHE HD2 H 7.151 0.010 1 968 83 83 PHE C C 177.442 0.100 1 969 83 83 PHE CA C 61.189 0.100 1 970 83 83 PHE CB C 38.569 0.100 1 971 83 83 PHE N N 120.517 0.050 1 972 84 84 HIS H H 8.583 0.010 1 973 84 84 HIS HA H 4.318 0.010 1 974 84 84 HIS HB2 H 3.230 0.010 1 975 84 84 HIS HB3 H 3.230 0.010 1 976 84 84 HIS HD2 H 7.263 0.010 1 977 84 84 HIS HE1 H 8.346 0.010 1 978 84 84 HIS C C 176.189 0.100 1 979 84 84 HIS CA C 58.792 0.100 1 980 84 84 HIS CB C 27.576 0.100 1 981 84 84 HIS CD2 C 119.541 0.100 1 982 84 84 HIS CE1 C 136.388 0.100 1 983 84 84 HIS N N 117.802 0.050 1 984 85 85 THR H H 8.072 0.010 1 985 85 85 THR HA H 3.998 0.010 1 986 85 85 THR HB H 3.624 0.010 1 987 85 85 THR HG2 H 1.137 0.010 1 988 85 85 THR C C 176.799 0.100 1 989 85 85 THR CA C 66.535 0.100 1 990 85 85 THR CG2 C 21.933 0.100 1 991 85 85 THR N N 117.789 0.050 1 992 86 86 LYS H H 7.668 0.010 1 993 86 86 LYS HA H 3.636 0.010 1 994 86 86 LYS HB2 H 1.658 0.010 2 995 86 86 LYS HB3 H 1.693 0.010 2 996 86 86 LYS HG2 H 1.292 0.010 2 997 86 86 LYS HG3 H 1.139 0.010 2 998 86 86 LYS HD2 H 1.624 0.010 1 999 86 86 LYS HD3 H 1.624 0.010 1 1000 86 86 LYS HE2 H 2.905 0.010 1 1001 86 86 LYS HE3 H 2.905 0.010 1 1002 86 86 LYS C C 177.726 0.100 1 1003 86 86 LYS CA C 60.095 0.100 1 1004 86 86 LYS CB C 31.864 0.100 1 1005 86 86 LYS CG C 25.431 0.100 1 1006 86 86 LYS CD C 29.431 0.100 1 1007 86 86 LYS CE C 41.290 0.100 1 1008 86 86 LYS N N 119.353 0.050 1 1009 87 87 GLU H H 8.372 0.010 1 1010 87 87 GLU HA H 3.781 0.010 1 1011 87 87 GLU HB2 H 1.894 0.010 2 1012 87 87 GLU HB3 H 1.762 0.010 2 1013 87 87 GLU HG2 H 2.034 0.010 1 1014 87 87 GLU HG3 H 2.034 0.010 1 1015 87 87 GLU C C 178.015 0.100 1 1016 87 87 GLU CA C 58.993 0.100 1 1017 87 87 GLU CB C 28.824 0.100 1 1018 87 87 GLU CG C 35.721 0.100 1 1019 87 87 GLU N N 122.720 0.050 1 1020 88 88 VAL H H 7.842 0.010 1 1021 88 88 VAL HA H 3.544 0.010 1 1022 88 88 VAL HB H 1.923 0.010 1 1023 88 88 VAL HG1 H 0.827 0.010 2 1024 88 88 VAL HG2 H 0.715 0.010 2 1025 88 88 VAL C C 179.829 0.100 1 1026 88 88 VAL CA C 65.724 0.100 1 1027 88 88 VAL CB C 31.159 0.100 1 1028 88 88 VAL CG1 C 20.664 0.100 2 1029 88 88 VAL CG2 C 21.894 0.100 2 1030 88 88 VAL N N 118.859 0.050 1 1031 89 89 ILE H H 7.480 0.010 1 1032 89 89 ILE HA H 3.582 0.010 1 1033 89 89 ILE HB H 1.933 0.010 1 1034 89 89 ILE HG12 H 1.858 0.010 1 1035 89 89 ILE HG13 H 1.858 0.010 1 1036 89 89 ILE HG2 H 0.966 0.010 1 1037 89 89 ILE HD1 H 0.961 0.010 1 1038 89 89 ILE C C 177.855 0.100 1 1039 89 89 ILE CA C 64.446 0.100 1 1040 89 89 ILE CB C 37.382 0.100 1 1041 89 89 ILE CG1 C 28.297 0.100 1 1042 89 89 ILE CG2 C 18.508 0.100 1 1043 89 89 ILE CD1 C 14.518 0.100 1 1044 89 89 ILE N N 120.123 0.050 1 1045 90 90 THR H H 8.633 0.010 1 1046 90 90 THR HA H 4.279 0.010 1 1047 90 90 THR HB H 3.506 0.010 1 1048 90 90 THR HG2 H 1.191 0.010 1 1049 90 90 THR C C 175.781 0.100 1 1050 90 90 THR CA C 66.728 0.100 1 1051 90 90 THR CB C 68.355 0.100 1 1052 90 90 THR CG2 C 20.586 0.100 1 1053 90 90 THR N N 117.622 0.050 1 1054 91 91 ASN H H 8.051 0.010 1 1055 91 91 ASN HA H 4.495 0.010 1 1056 91 91 ASN HB2 H 2.781 0.010 1 1057 91 91 ASN HB3 H 2.781 0.010 1 1058 91 91 ASN HD21 H 6.966 0.010 2 1059 91 91 ASN HD22 H 7.360 0.010 2 1060 91 91 ASN C C 175.945 0.100 1 1061 91 91 ASN CA C 54.305 0.100 1 1062 91 91 ASN CB C 37.907 0.100 1 1063 91 91 ASN N N 116.533 0.050 1 1064 91 91 ASN ND2 N 112.187 0.050 1 1065 92 92 SER H H 7.765 0.010 1 1066 92 92 SER HA H 4.602 0.010 1 1067 92 92 SER HB2 H 3.859 0.010 1 1068 92 92 SER HB3 H 3.859 0.010 1 1069 92 92 SER C C 176.111 0.100 1 1070 92 92 SER CA C 58.257 0.100 1 1071 92 92 SER CB C 63.894 0.100 1 1072 92 92 SER N N 113.553 0.050 1 1073 93 93 ILE H H 7.269 0.010 1 1074 93 93 ILE HA H 3.777 0.010 1 1075 93 93 ILE HB H 1.710 0.010 1 1076 93 93 ILE HG12 H 1.082 0.010 2 1077 93 93 ILE HG13 H 0.833 0.010 2 1078 93 93 ILE HG2 H 0.514 0.010 1 1079 93 93 ILE HD1 H 0.593 0.010 1 1080 93 93 ILE C C 175.051 0.100 1 1081 93 93 ILE CA C 60.268 0.100 1 1082 93 93 ILE CB C 37.205 0.100 1 1083 93 93 ILE CG1 C 27.038 0.100 1 1084 93 93 ILE CG2 C 17.546 0.100 1 1085 93 93 ILE CD1 C 13.219 0.100 1 1086 93 93 ILE N N 120.451 0.050 1 1087 94 94 THR H H 7.479 0.010 1 1088 94 94 THR HA H 4.292 0.010 1 1089 94 94 THR HB H 4.143 0.010 1 1090 94 94 THR HG2 H 1.183 0.010 1 1091 94 94 THR C C 175.157 0.100 1 1092 94 94 THR CA C 62.672 0.100 1 1093 94 94 THR CB C 68.084 0.100 1 1094 94 94 THR CG2 C 21.628 0.100 1 1095 94 94 THR N N 110.264 0.050 1 1096 95 95 GLN H H 7.635 0.010 1 1097 95 95 GLN HA H 4.649 0.010 1 1098 95 95 GLN HB2 H 1.876 0.010 2 1099 95 95 GLN HB3 H 1.962 0.010 2 1100 95 95 GLN HG2 H 2.240 0.010 1 1101 95 95 GLN HG3 H 2.240 0.010 1 1102 95 95 GLN C C 171.561 0.100 1 1103 95 95 GLN CA C 52.696 0.100 1 1104 95 95 GLN CB C 28.565 0.100 1 1105 95 95 GLN CG C 32.861 0.100 1 1106 95 95 GLN N N 120.443 0.050 1 1107 96 96 PRO HA H 4.377 0.010 1 1108 96 96 PRO HB2 H 1.707 0.010 2 1109 96 96 PRO HB3 H 1.846 0.010 2 1110 96 96 PRO HG2 H 1.761 0.010 1 1111 96 96 PRO HG3 H 1.761 0.010 1 1112 96 96 PRO HD2 H 3.145 0.010 2 1113 96 96 PRO HD3 H 3.408 0.010 2 1114 96 96 PRO C C 175.961 0.100 1 1115 96 96 PRO CA C 62.403 0.100 1 1116 96 96 PRO CB C 31.851 0.100 1 1117 96 96 PRO CG C 26.442 0.100 1 1118 96 96 PRO CD C 48.482 0.100 1 1119 97 97 THR H H 8.881 0.010 1 1120 97 97 THR HA H 4.653 0.010 1 1121 97 97 THR HB H 4.530 0.010 1 1122 97 97 THR HG2 H 1.156 0.010 1 1123 97 97 THR C C 175.181 0.100 1 1124 97 97 THR CA C 58.699 0.100 1 1125 97 97 THR CB C 72.633 0.100 1 1126 97 97 THR CG2 C 19.984 0.100 1 1127 97 97 THR N N 109.568 0.050 1 1128 98 98 LEU H H 8.566 0.010 1 1129 98 98 LEU HA H 3.973 0.010 1 1130 98 98 LEU HB2 H 1.362 0.010 2 1131 98 98 LEU HB3 H 1.175 0.010 2 1132 98 98 LEU HG H 1.448 0.010 1 1133 98 98 LEU HD1 H 0.732 0.010 2 1134 98 98 LEU HD2 H 0.718 0.010 2 1135 98 98 LEU C C 177.654 0.100 1 1136 98 98 LEU CA C 56.358 0.100 1 1137 98 98 LEU CB C 41.227 0.100 1 1138 98 98 LEU CG C 26.531 0.100 1 1139 98 98 LEU CD1 C 24.581 0.100 2 1140 98 98 LEU CD2 C 24.424 0.100 2 1141 98 98 LEU N N 117.358 0.050 1 1142 99 99 HIS H H 8.086 0.010 1 1143 99 99 HIS HA H 4.883 0.010 1 1144 99 99 HIS HB2 H 3.364 0.010 2 1145 99 99 HIS HB3 H 2.782 0.010 2 1146 99 99 HIS HD2 H 7.214 0.010 1 1147 99 99 HIS HE1 H 8.431 0.010 1 1148 99 99 HIS C C 176.876 0.100 1 1149 99 99 HIS CA C 54.633 0.100 1 1150 99 99 HIS CB C 28.970 0.100 1 1151 99 99 HIS CD2 C 119.648 0.100 1 1152 99 99 HIS CE1 C 135.949 0.100 1 1153 99 99 HIS N N 114.210 0.050 1 1154 100 100 SER H H 8.038 0.010 1 1155 100 100 SER HA H 3.881 0.010 1 1156 100 100 SER HB2 H 3.128 0.010 1 1157 100 100 SER HB3 H 3.128 0.010 1 1158 100 100 SER C C 173.868 0.100 1 1159 100 100 SER CA C 63.561 0.100 1 1160 100 100 SER N N 119.019 0.050 1 1161 101 101 PHE H H 8.834 0.010 1 1162 101 101 PHE HA H 4.665 0.010 1 1163 101 101 PHE HB2 H 2.615 0.010 2 1164 101 101 PHE HB3 H 3.512 0.010 2 1165 101 101 PHE HD1 H 6.718 0.010 1 1166 101 101 PHE HD2 H 6.718 0.010 1 1167 101 101 PHE HE1 H 6.422 0.010 1 1168 101 101 PHE HE2 H 6.422 0.010 1 1169 101 101 PHE HZ H 7.168 0.010 1 1170 101 101 PHE C C 174.975 0.100 1 1171 101 101 PHE CA C 56.985 0.100 1 1172 101 101 PHE CB C 39.098 0.100 1 1173 101 101 PHE CD1 C 130.746 0.100 1 1174 101 101 PHE CD2 C 130.746 0.100 1 1175 101 101 PHE CE1 C 129.608 0.100 1 1176 101 101 PHE CE2 C 129.608 0.100 1 1177 101 101 PHE CZ C 127.700 0.100 1 1178 101 101 PHE N N 115.676 0.050 1 1179 102 102 ASP H H 7.479 0.010 1 1180 102 102 ASP HA H 4.269 0.010 1 1181 102 102 ASP HB2 H 2.786 0.010 1 1182 102 102 ASP HB3 H 2.786 0.010 1 1183 102 102 ASP C C 178.232 0.100 1 1184 102 102 ASP CA C 57.989 0.100 1 1185 102 102 ASP CB C 39.007 0.100 1 1186 102 102 ASP N N 121.665 0.050 1 1187 103 103 ALA H H 8.607 0.010 1 1188 103 103 ALA HA H 4.245 0.010 1 1189 103 103 ALA HB H 1.491 0.010 1 1190 103 103 ALA C C 180.853 0.100 1 1191 103 103 ALA CA C 54.759 0.100 1 1192 103 103 ALA CB C 17.314 0.100 1 1193 103 103 ALA N N 122.983 0.050 1 1194 104 104 ALA H H 8.309 0.010 1 1195 104 104 ALA HA H 4.089 0.010 1 1196 104 104 ALA HB H 1.603 0.010 1 1197 104 104 ALA C C 178.376 0.100 1 1198 104 104 ALA CA C 54.342 0.100 1 1199 104 104 ALA CB C 19.348 0.100 1 1200 104 104 ALA N N 121.777 0.050 1 1201 105 105 GLN H H 9.461 0.010 1 1202 105 105 GLN HA H 3.879 0.010 1 1203 105 105 GLN HB2 H 2.029 0.010 2 1204 105 105 GLN HB3 H 2.185 0.010 2 1205 105 105 GLN HG2 H 2.475 0.010 1 1206 105 105 GLN HG3 H 2.475 0.010 1 1207 105 105 GLN C C 178.145 0.100 1 1208 105 105 GLN CA C 59.629 0.100 1 1209 105 105 GLN CB C 26.951 0.100 1 1210 105 105 GLN CG C 34.603 0.100 1 1211 105 105 GLN N N 119.328 0.050 1 1212 106 106 SER H H 8.314 0.010 1 1213 106 106 SER HA H 4.390 0.010 1 1214 106 106 SER HB2 H 4.006 0.010 1 1215 106 106 SER HB3 H 4.006 0.010 1 1216 106 106 SER C C 176.710 0.100 1 1217 106 106 SER CB C 62.172 0.100 1 1218 106 106 SER N N 113.923 0.050 1 1219 107 107 ARG H H 7.835 0.010 1 1220 107 107 ARG HA H 4.278 0.010 1 1221 107 107 ARG HB2 H 2.124 0.010 1 1222 107 107 ARG HB3 H 2.124 0.010 1 1223 107 107 ARG HG2 H 1.803 0.010 1 1224 107 107 ARG HG3 H 1.803 0.010 1 1225 107 107 ARG HD2 H 3.442 0.010 2 1226 107 107 ARG HD3 H 3.237 0.010 2 1227 107 107 ARG HE H 8.197 0.010 1 1228 107 107 ARG C C 178.657 0.100 1 1229 107 107 ARG CA C 58.169 0.100 1 1230 107 107 ARG CB C 28.755 0.100 1 1231 107 107 ARG CG C 26.901 0.100 1 1232 107 107 ARG CD C 42.329 0.100 1 1233 107 107 ARG N N 122.017 0.050 1 1234 107 107 ARG NE N 83.792 0.050 1 1235 108 108 VAL H H 8.318 0.010 1 1236 108 108 VAL HA H 3.936 0.010 1 1237 108 108 VAL HB H 2.394 0.010 1 1238 108 108 VAL HG1 H 1.403 0.010 2 1239 108 108 VAL HG2 H 1.256 0.010 2 1240 108 108 VAL C C 177.409 0.100 1 1241 108 108 VAL CA C 66.168 0.100 1 1242 108 108 VAL CB C 31.418 0.100 1 1243 108 108 VAL CG1 C 21.962 0.100 2 1244 108 108 VAL CG2 C 22.912 0.100 2 1245 108 108 VAL N N 118.973 0.050 1 1246 109 109 TYR H H 8.967 0.010 1 1247 109 109 TYR HA H 3.891 0.010 1 1248 109 109 TYR HB2 H 3.497 0.010 2 1249 109 109 TYR HB3 H 3.194 0.010 2 1250 109 109 TYR HD1 H 6.670 0.010 1 1251 109 109 TYR HD2 H 6.670 0.010 1 1252 109 109 TYR HE1 H 6.392 0.010 1 1253 109 109 TYR HE2 H 6.392 0.010 1 1254 109 109 TYR C C 176.567 0.100 1 1255 109 109 TYR CA C 62.542 0.100 1 1256 109 109 TYR CB C 38.196 0.100 1 1257 109 109 TYR CD1 C 132.447 0.100 1 1258 109 109 TYR CD2 C 132.447 0.100 1 1259 109 109 TYR CE1 C 118.103 0.100 1 1260 109 109 TYR CE2 C 118.103 0.100 1 1261 109 109 TYR N N 122.516 0.050 1 1262 110 110 GLN H H 8.204 0.010 1 1263 110 110 GLN HA H 4.117 0.010 1 1264 110 110 GLN HB2 H 2.275 0.010 1 1265 110 110 GLN HB3 H 2.275 0.010 1 1266 110 110 GLN HG2 H 2.489 0.010 2 1267 110 110 GLN HG3 H 2.755 0.010 2 1268 110 110 GLN C C 178.315 0.100 1 1269 110 110 GLN CA C 58.519 0.100 1 1270 110 110 GLN CB C 28.182 0.100 1 1271 110 110 GLN CG C 33.869 0.100 1 1272 110 110 GLN N N 117.700 0.050 1 1273 111 111 LEU H H 8.126 0.010 1 1274 111 111 LEU HA H 4.122 0.010 1 1275 111 111 LEU HB2 H 1.780 0.010 2 1276 111 111 LEU HB3 H 1.928 0.010 2 1277 111 111 LEU HG H 1.851 0.010 1 1278 111 111 LEU HD1 H 0.961 0.010 1 1279 111 111 LEU HD2 H 0.961 0.010 1 1280 111 111 LEU C C 180.053 0.100 1 1281 111 111 LEU CA C 57.451 0.100 1 1282 111 111 LEU CB C 41.402 0.100 1 1283 111 111 LEU CG C 26.725 0.100 1 1284 111 111 LEU CD1 C 24.488 0.100 2 1285 111 111 LEU CD2 C 23.584 0.100 2 1286 111 111 LEU N N 119.971 0.050 1 1287 112 112 MET H H 8.152 0.010 1 1288 112 112 MET HA H 4.188 0.010 1 1289 112 112 MET HB2 H 2.463 0.010 2 1290 112 112 MET HB3 H 1.905 0.010 2 1291 112 112 MET HG2 H 3.059 0.010 1 1292 112 112 MET HG3 H 3.059 0.010 1 1293 112 112 MET HE H 1.878 0.010 1 1294 112 112 MET C C 177.482 0.100 1 1295 112 112 MET CA C 58.965 0.100 1 1296 112 112 MET CB C 34.744 0.100 1 1297 112 112 MET CG C 31.183 0.100 1 1298 112 112 MET CE C 15.156 0.100 1 1299 112 112 MET N N 117.274 0.050 1 1300 113 113 GLU H H 8.521 0.010 1 1301 113 113 GLU HA H 4.209 0.010 1 1302 113 113 GLU HB2 H 1.931 0.010 1 1303 113 113 GLU HB3 H 1.931 0.010 1 1304 113 113 GLU HG2 H 1.699 0.010 1 1305 113 113 GLU HG3 H 1.699 0.010 1 1306 113 113 GLU C C 177.285 0.100 1 1307 113 113 GLU CA C 58.769 0.100 1 1308 113 113 GLU CB C 29.048 0.100 1 1309 113 113 GLU CG C 35.580 0.100 1 1310 113 113 GLU N N 120.838 0.050 1 1311 114 114 GLN H H 7.678 0.010 1 1312 114 114 GLN HA H 4.129 0.010 1 1313 114 114 GLN HB2 H 2.104 0.010 1 1314 114 114 GLN HB3 H 2.104 0.010 1 1315 114 114 GLN HG2 H 2.491 0.010 1 1316 114 114 GLN HG3 H 2.491 0.010 1 1317 114 114 GLN C C 176.370 0.100 1 1318 114 114 GLN CA C 56.192 0.100 1 1319 114 114 GLN CB C 28.684 0.100 1 1320 114 114 GLN CG C 33.375 0.100 1 1321 114 114 GLN N N 112.319 0.050 1 1322 115 115 ASP H H 7.779 0.010 1 1323 115 115 ASP HA H 4.921 0.010 1 1324 115 115 ASP HB2 H 2.833 0.010 1 1325 115 115 ASP HB3 H 2.833 0.010 1 1326 115 115 ASP C C 176.048 0.100 1 1327 115 115 ASP CA C 55.091 0.100 1 1328 115 115 ASP CB C 42.117 0.100 1 1329 115 115 ASP N N 117.285 0.050 1 1330 116 116 SER H H 7.906 0.010 1 1331 116 116 SER HA H 4.307 0.010 1 1332 116 116 SER HB2 H 4.056 0.010 1 1333 116 116 SER HB3 H 4.056 0.010 1 1334 116 116 SER C C 175.914 0.100 1 1335 116 116 SER CA C 61.511 0.100 1 1336 116 116 SER CB C 62.855 0.100 1 1337 116 116 SER N N 115.509 0.050 1 1338 117 117 TYR H H 8.695 0.010 1 1339 117 117 TYR HA H 4.163 0.010 1 1340 117 117 TYR HB2 H 2.038 0.010 2 1341 117 117 TYR HB3 H 2.615 0.010 2 1342 117 117 TYR HD1 H 6.754 0.010 1 1343 117 117 TYR HD2 H 6.754 0.010 1 1344 117 117 TYR HE1 H 6.646 0.010 1 1345 117 117 TYR HE2 H 6.646 0.010 1 1346 117 117 TYR C C 175.443 0.100 1 1347 117 117 TYR CA C 59.656 0.100 1 1348 117 117 TYR CB C 36.927 0.100 1 1349 117 117 TYR CD1 C 131.224 0.100 1 1350 117 117 TYR CD2 C 131.224 0.100 1 1351 117 117 TYR CE1 C 116.489 0.100 1 1352 117 117 TYR CE2 C 116.489 0.100 1 1353 117 117 TYR N N 122.338 0.050 1 1354 118 118 THR H H 7.033 0.010 1 1355 118 118 THR HA H 4.029 0.010 1 1356 118 118 THR HB H 3.364 0.010 1 1357 118 118 THR HG2 H 1.124 0.010 1 1358 118 118 THR C C 177.234 0.100 1 1359 118 118 THR CA C 64.666 0.100 1 1360 118 118 THR CB C 67.536 0.100 1 1361 118 118 THR CG2 C 21.495 0.100 1 1362 118 118 THR N N 109.169 0.050 1 1363 119 119 ARG H H 7.243 0.010 1 1364 119 119 ARG HA H 3.916 0.010 1 1365 119 119 ARG HB2 H 1.971 0.010 1 1366 119 119 ARG HB3 H 1.971 0.010 1 1367 119 119 ARG HD2 H 3.303 0.010 1 1368 119 119 ARG HD3 H 3.303 0.010 1 1369 119 119 ARG C C 179.368 0.100 1 1370 119 119 ARG CA C 59.190 0.100 1 1371 119 119 ARG CB C 29.699 0.100 1 1372 119 119 ARG N N 119.491 0.050 1 1373 120 120 PHE H H 8.583 0.010 1 1374 120 120 PHE HA H 2.651 0.010 1 1375 120 120 PHE HB2 H 2.890 0.010 2 1376 120 120 PHE HB3 H 3.261 0.010 2 1377 120 120 PHE HE1 H 7.129 0.010 1 1378 120 120 PHE HE2 H 7.129 0.010 1 1379 120 120 PHE HZ H 7.241 0.010 1 1380 120 120 PHE C C 177.781 0.100 1 1381 120 120 PHE CA C 59.883 0.100 1 1382 120 120 PHE CB C 37.844 0.100 1 1383 120 120 PHE CE1 C 130.834 0.100 1 1384 120 120 PHE CE2 C 130.834 0.100 1 1385 120 120 PHE CZ C 127.614 0.100 1 1386 120 120 PHE N N 124.487 0.050 1 1387 121 121 LEU H H 7.045 0.010 1 1388 121 121 LEU HA H 3.282 0.010 1 1389 121 121 LEU HB2 H 1.415 0.010 2 1390 121 121 LEU HB3 H 1.159 0.010 2 1391 121 121 LEU HG H 1.238 0.010 1 1392 121 121 LEU HD1 H 0.289 0.010 2 1393 121 121 LEU HD2 H 0.015 0.010 2 1394 121 121 LEU C C 175.806 0.100 1 1395 121 121 LEU CA C 55.295 0.100 1 1396 121 121 LEU CB C 40.175 0.100 1 1397 121 121 LEU CG C 25.018 0.100 1 1398 121 121 LEU CD1 C 20.088 0.100 2 1399 121 121 LEU CD2 C 24.629 0.100 2 1400 121 121 LEU N N 117.338 0.050 1 1401 122 122 LYS H H 6.760 0.010 1 1402 122 122 LYS HA H 4.386 0.010 1 1403 122 122 LYS HB2 H 1.579 0.010 2 1404 122 122 LYS HB3 H 1.872 0.010 2 1405 122 122 LYS HD2 H 1.553 0.010 1 1406 122 122 LYS HD3 H 1.553 0.010 1 1407 122 122 LYS HE2 H 2.873 0.010 1 1408 122 122 LYS HE3 H 2.873 0.010 1 1409 122 122 LYS C C 175.770 0.100 1 1410 122 122 LYS CA C 53.968 0.100 1 1411 122 122 LYS CB C 32.456 0.100 1 1412 122 122 LYS CG C 24.262 0.100 1 1413 122 122 LYS CD C 28.355 0.100 1 1414 122 122 LYS CE C 41.414 0.100 1 1415 122 122 LYS N N 114.654 0.050 1 1416 123 123 SER H H 7.581 0.010 1 1417 123 123 SER HA H 4.344 0.010 1 1418 123 123 SER HB2 H 3.864 0.010 1 1419 123 123 SER HB3 H 3.864 0.010 1 1420 123 123 SER C C 173.940 0.100 1 1421 123 123 SER CA C 57.820 0.100 1 1422 123 123 SER CB C 65.732 0.100 1 1423 123 123 SER N N 117.809 0.050 1 1424 124 124 ASP H H 8.849 0.010 1 1425 124 124 ASP HA H 4.255 0.010 1 1426 124 124 ASP HB2 H 2.637 0.010 1 1427 124 124 ASP HB3 H 2.637 0.010 1 1428 124 124 ASP C C 177.252 0.100 1 1429 124 124 ASP CA C 56.622 0.100 1 1430 124 124 ASP CB C 39.157 0.100 1 1431 124 124 ASP N N 121.982 0.050 1 1432 125 125 ILE H H 7.419 0.010 1 1433 125 125 ILE HA H 3.753 0.010 1 1434 125 125 ILE HB H 1.817 0.010 1 1435 125 125 ILE HG2 H 1.168 0.010 1 1436 125 125 ILE C C 177.378 0.100 1 1437 125 125 ILE CA C 64.120 0.100 1 1438 125 125 ILE CB C 38.319 0.100 1 1439 125 125 ILE CG2 C 16.807 0.100 1 1440 125 125 ILE N N 117.627 0.050 1 1441 126 126 TYR H H 7.118 0.010 1 1442 126 126 TYR HA H 4.069 0.010 1 1443 126 126 TYR HB2 H 1.554 0.010 2 1444 126 126 TYR HB3 H 2.327 0.010 2 1445 126 126 TYR HD1 H 6.950 0.010 1 1446 126 126 TYR HD2 H 6.950 0.010 1 1447 126 126 TYR HE1 H 6.797 0.010 1 1448 126 126 TYR HE2 H 6.797 0.010 1 1449 126 126 TYR C C 176.863 0.100 1 1450 126 126 TYR CA C 59.790 0.100 1 1451 126 126 TYR CB C 38.191 0.100 1 1452 126 126 TYR CD1 C 132.342 0.100 1 1453 126 126 TYR CD2 C 132.342 0.100 1 1454 126 126 TYR CE1 C 117.018 0.100 1 1455 126 126 TYR CE2 C 117.018 0.100 1 1456 126 126 TYR N N 118.242 0.050 1 1457 127 127 LEU H H 8.403 0.010 1 1458 127 127 LEU HA H 3.498 0.010 1 1459 127 127 LEU HB2 H 1.647 0.010 2 1460 127 127 LEU HB3 H 1.303 0.010 2 1461 127 127 LEU HG H 1.635 0.010 1 1462 127 127 LEU HD1 H 0.726 0.010 1 1463 127 127 LEU HD2 H 0.726 0.010 1 1464 127 127 LEU C C 179.680 0.100 1 1465 127 127 LEU CA C 57.398 0.100 1 1466 127 127 LEU CB C 40.114 0.100 1 1467 127 127 LEU CG C 26.324 0.100 1 1468 127 127 LEU CD1 C 24.525 0.100 2 1469 127 127 LEU CD2 C 22.122 0.100 2 1470 127 127 LEU N N 118.567 0.050 1 1471 128 128 ASP H H 8.467 0.010 1 1472 128 128 ASP HA H 4.195 0.010 1 1473 128 128 ASP HB2 H 2.738 0.010 2 1474 128 128 ASP HB3 H 2.509 0.010 2 1475 128 128 ASP C C 178.564 0.100 1 1476 128 128 ASP CA C 56.758 0.100 1 1477 128 128 ASP CB C 39.439 0.100 1 1478 128 128 ASP N N 118.116 0.050 1 1479 129 129 LEU H H 7.072 0.010 1 1480 129 129 LEU HA H 4.039 0.010 1 1481 129 129 LEU HB2 H 1.082 0.010 2 1482 129 129 LEU HB3 H 1.665 0.010 2 1483 129 129 LEU HG H 1.889 0.010 1 1484 129 129 LEU HD1 H 1.089 0.010 2 1485 129 129 LEU HD2 H 0.874 0.010 2 1486 129 129 LEU C C 179.069 0.100 1 1487 129 129 LEU CA C 56.128 0.100 1 1488 129 129 LEU CB C 41.290 0.100 1 1489 129 129 LEU CG C 26.293 0.100 1 1490 129 129 LEU CD1 C 26.172 0.100 2 1491 129 129 LEU CD2 C 23.068 0.100 2 1492 129 129 LEU N N 118.896 0.050 1 1493 130 130 MET H H 7.622 0.010 1 1494 130 130 MET HA H 3.846 0.010 1 1495 130 130 MET HB2 H 1.643 0.010 1 1496 130 130 MET HB3 H 1.643 0.010 1 1497 130 130 MET HG2 H 1.955 0.010 2 1498 130 130 MET HG3 H 1.654 0.010 2 1499 130 130 MET HE H 1.685 0.010 1 1500 130 130 MET C C 176.789 0.100 1 1501 130 130 MET CA C 55.957 0.100 1 1502 130 130 MET CB C 31.545 0.100 1 1503 130 130 MET CG C 31.242 0.100 1 1504 130 130 MET CE C 16.386 0.100 1 1505 130 130 MET N N 116.867 0.050 1 1506 131 131 GLU H H 7.747 0.010 1 1507 131 131 GLU HA H 4.127 0.010 1 1508 131 131 GLU HB2 H 1.935 0.010 2 1509 131 131 GLU HB3 H 1.835 0.010 2 1510 131 131 GLU HG2 H 2.223 0.010 2 1511 131 131 GLU HG3 H 2.124 0.010 2 1512 131 131 GLU C C 176.904 0.100 1 1513 131 131 GLU CA C 55.876 0.100 1 1514 131 131 GLU CB C 29.377 0.100 1 1515 131 131 GLU CG C 35.946 0.100 1 1516 131 131 GLU N N 116.104 0.050 1 1517 132 132 GLY H H 7.726 0.010 1 1518 132 132 GLY HA2 H 3.821 0.010 1 1519 132 132 GLY HA3 H 3.829 0.010 1 1520 132 132 GLY C C 174.258 0.100 1 1521 132 132 GLY CA C 45.559 0.100 1 1522 132 132 GLY N N 108.550 0.050 1 1523 133 133 ARG H H 8.106 0.010 1 1524 133 133 ARG C C 173.882 0.100 1 1525 133 133 ARG CA C 53.563 0.100 1 1526 133 133 ARG CB C 29.461 0.100 1 1527 133 133 ARG N N 120.453 0.050 1 stop_ save_