data_6635 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Resonance Assignments for the 13kD Ras Association Domain 2 (RA2) from Phospholipase C (epsilon) ; _BMRB_accession_number 6635 _BMRB_flat_file_name bmr6635.str _Entry_type original _Submission_date 2005-05-16 _Accession_date 2005-05-16 _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 Harris Richard . . 2 Bunney Tom D. . 3 Katan Matilda . . 4 Driscoll Paul C. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 626 "13C chemical shifts" 433 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-11-07 original author . stop_ _Original_release_date 2005-11-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone 1H, 13C, and 15N Resonance Assignments for the two 13 kD Ras Associating Domains (RA1 and RA2) from Phospholipase C(epsilon) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16258837 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Harris Richard . . 2 Bunney Tom D. . 3 Katan Matilda . . 4 Driscoll Paul C. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 33 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 138 _Page_last 138 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RA2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RA2 $RA2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RA2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ra2 _Molecular_mass 13146 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; GSSEEESFFVQVHDVSPEQP LTVIKAPRVSTAQDVIQQTL CKAKYSYSILSNPNPSDYVL LEEVVKDTTNKKTTTPKSSQ RVLLDQECVFQAQSKWKGAG KFILKLKEQVQASREDK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 1 SER 3 2 SER 4 3 GLU 5 4 GLU 6 5 GLU 7 6 SER 8 7 PHE 9 8 PHE 10 9 VAL 11 10 GLN 12 11 VAL 13 12 HIS 14 13 ASP 15 14 VAL 16 15 SER 17 16 PRO 18 17 GLU 19 18 GLN 20 19 PRO 21 20 LEU 22 21 THR 23 22 VAL 24 23 ILE 25 24 LYS 26 25 ALA 27 26 PRO 28 27 ARG 29 28 VAL 30 29 SER 31 30 THR 32 31 ALA 33 32 GLN 34 33 ASP 35 34 VAL 36 35 ILE 37 36 GLN 38 37 GLN 39 38 THR 40 39 LEU 41 40 CYS 42 41 LYS 43 42 ALA 44 43 LYS 45 44 TYR 46 45 SER 47 46 TYR 48 47 SER 49 48 ILE 50 49 LEU 51 50 SER 52 51 ASN 53 52 PRO 54 53 ASN 55 54 PRO 56 55 SER 57 56 ASP 58 57 TYR 59 58 VAL 60 59 LEU 61 60 LEU 62 61 GLU 63 62 GLU 64 63 VAL 65 64 VAL 66 65 LYS 67 66 ASP 68 67 THR 69 68 THR 70 69 ASN 71 70 LYS 72 71 LYS 73 72 THR 74 73 THR 75 74 THR 76 75 PRO 77 76 LYS 78 77 SER 79 78 SER 80 79 GLN 81 80 ARG 82 81 VAL 83 82 LEU 84 83 LEU 85 84 ASP 86 85 GLN 87 86 GLU 88 87 CYS 89 88 VAL 90 89 PHE 91 90 GLN 92 91 ALA 93 92 GLN 94 93 SER 95 94 LYS 96 95 TRP 97 96 LYS 98 97 GLY 99 98 ALA 100 99 GLY 101 100 LYS 102 101 PHE 103 102 ILE 104 103 LEU 105 104 LYS 106 105 LEU 107 106 LYS 108 107 GLU 109 108 GLN 110 109 VAL 111 110 GLN 112 111 ALA 113 112 SER 114 113 ARG 115 114 GLU 116 115 ASP 117 116 LYS 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 2BYF "Nmr Solution Structure Of Phospholipase C Epsilon Ra 2 Domain" 99.15 116 100.00 100.00 6.35e-77 PDB 2C5L "Structure Of Plc Epsilon Ras Association Domain With Hras" 100.00 117 98.29 98.29 7.89e-76 DBJ BAA96040 "KIAA1516 protein [Homo sapiens]" 99.15 2304 99.14 99.14 2.02e-67 DBJ BAB14090 "unnamed protein product [Homo sapiens]" 99.15 806 99.14 99.14 5.72e-69 DBJ BAG10469 "phospholipase C, epsilon 1 [synthetic construct]" 99.15 2302 99.14 99.14 2.02e-67 GB AAF22005 "pancreas-enriched phospholipase C [Homo sapiens]" 99.15 1103 99.14 99.14 2.80e-68 GB AAG17145 "phosphoinositide-specific phospholipase C PLC-epsilon [Homo sapiens]" 99.15 2303 99.14 99.14 2.27e-67 GB AAG28341 "phospholipase C epsilon [Homo sapiens]" 99.15 1994 99.14 99.14 2.02e-67 GB AAI40706 "Phospholipase C, epsilon 1 [Homo sapiens]" 99.15 2302 99.14 99.14 2.04e-67 GB AAI44287 "PLCE1 protein [Homo sapiens]" 99.15 2286 99.14 99.14 1.91e-67 REF NP_001159451 "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase epsilon-1 isoform 2 [Homo sapiens]" 99.15 1994 99.14 99.14 1.83e-67 REF NP_001275918 "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase epsilon-1 isoform 3 [Homo sapiens]" 99.15 2286 99.14 99.14 1.91e-67 REF NP_057425 "1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase epsilon-1 isoform 1 [Homo sapiens]" 99.15 2302 99.14 99.14 2.04e-67 REF XP_001502425 "PREDICTED: 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase epsilon-1 isoform 1 [Equus caballus]" 99.15 2299 97.41 99.14 2.12e-66 REF XP_002805823 "PREDICTED: 1-phosphatidylinositol-4,5-bisphosphate phosphodiesterase epsilon-1 [Macaca mulatta]" 99.15 2180 98.28 99.14 6.54e-67 SP Q9P212 "RecName: Full=1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase epsilon-1; AltName: Full=Pancreas-enriched phospholipas" 99.15 2302 99.14 99.14 2.04e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RA2 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 $RA2 'recombinant technology' 'E. coli' . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details '15N labelled RA2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RA2 1 mM [U-15N] 'sodium chloride' 250 mM . DTT 5 mM . 'sodium phosphate' 25 mM . EDTA 0.1 mM . stop_ save_ save_13C15N _Saveframe_category sample _Sample_type solution _Details '13C/15N labelled RA2' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RA2 1 mM '[U13C; U-15N]' 'sodium chloride' 250 mM . DTT 5 mM . 'sodium phospahte' 25 mM . EDTA 0.1 mM . stop_ save_ save_1H _Saveframe_category sample _Sample_type solution _Details 'unlabelled RA2 in D2O buffer' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RA2 1 mM unlabeled 'sodium chloride' 250 mM . DTT 5 mM . 'sodium phospahte' 25 mM . EDTA 0.1 mM . 'dueterium oxide' 100 % . stop_ save_ ############################ # Computer software used # ############################ save_Ansig _Saveframe_category software _Name ANSIG _Version 3.3 loop_ _Task 'analysing NMR spectra' stop_ _Details ; Linux version ansig4opengl-1.0.3 Kraulis, Journal of Magnetic Resonance (1989) v24, 627-633 ; save_ save_NMRpipe _Saveframe_category software _Name NMRPipe _Version 2.3 loop_ _Task 'Processing NMR spectra' stop_ _Details 'Delaglio et al. (1995) Journal of Biomolecular NMR, v6, p277-293' save_ save_Azara _Saveframe_category software _Name AZARA _Version 2.7 loop_ _Task 'conversion of nmrPipe format data to ansig format' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_500MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityPlus _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N HSQC' _Sample_label . save_ save_13C1H_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '13C1H HSQC' _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNcoCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNcoCA _Sample_label . save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCAcoNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH _Sample_label . save_ save_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HAcacoNH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HAcacoNH _Sample_label . save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY' _Sample_label . save_ save_15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY' _Sample_label . save_ save_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_HACANH_14 _Saveframe_category NMR_applied_experiment _Experiment_name HACANH _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details '13C/15N labelled sample' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 pH temperature 298 0.5 K stop_ save_ save_unlabelled _Saveframe_category sample_conditions _Details 'unlabelled sample in D2O buffer' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pD 6.1 0.2 pH temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details '1H,13C,15N chemical shifts indirectly referenced to DSS' loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '1H15N HSQC' '15N NOESY' '13C1H HSQC' HNCA HNcoCA HNCACB CBCAcoNH HNCO HAcacoNH HCCH-TOCSY '13C NOESY' HACANH NOESY TOCSY stop_ loop_ _Sample_label $15N $13C15N $1H stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name RA2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 3 SER HA H 4.415 0.02 1 2 2 3 SER HB2 H 3.85 0.02 2 3 2 3 SER HB3 H 3.897 0.02 2 4 2 3 SER C C 175.295 0.4 1 5 2 3 SER CA C 58.845 0.4 1 6 2 3 SER CB C 63.496 0.4 1 7 3 4 GLU H H 8.477 0.02 1 8 3 4 GLU HA H 4.1765 0.02 1 9 3 4 GLU HB2 H 1.714 0.02 2 10 3 4 GLU HB3 H 1.863 0.02 2 11 3 4 GLU HG2 H 1.421 0.02 2 12 3 4 GLU HG3 H 2.213 0.02 2 13 3 4 GLU C C 177.03 0.4 1 14 3 4 GLU CB C 29.994 0.4 1 15 3 4 GLU N N 122.779 0.1 1 16 4 5 GLU H H 8.194 0.02 1 17 4 5 GLU HA H 4.215 0.02 1 18 4 5 GLU HB2 H 1.892 0.02 1 19 4 5 GLU HB3 H 1.892 0.02 1 20 4 5 GLU HG2 H 1.981 0.02 2 21 4 5 GLU HG3 H 2.213 0.02 2 22 4 5 GLU C C 176.679 0.4 1 23 4 5 GLU CA C 56.722 0.4 1 24 4 5 GLU CB C 30.168 0.4 1 25 4 5 GLU N N 120.342 0.1 1 26 5 6 GLU H H 8.133 0.02 1 27 5 6 GLU HA H 4.288 0.02 1 28 5 6 GLU HB2 H 1.885 0.02 2 29 5 6 GLU HB3 H 1.971 0.02 2 30 5 6 GLU HG2 H 2.218 0.02 1 31 5 6 GLU HG3 H 2.218 0.02 1 32 5 6 GLU C C 176.946 0.4 1 33 5 6 GLU CA C 56.706 0.4 1 34 5 6 GLU CB C 30.532 0.4 1 35 5 6 GLU N N 120.045 0.1 1 36 6 7 SER H H 8.199 0.02 1 37 6 7 SER HA H 5.226 0.02 1 38 6 7 SER HB2 H 3.415 0.02 2 39 6 7 SER HB3 H 3.457 0.02 2 40 6 7 SER C C 172.401 0.4 1 41 6 7 SER CA C 57.728 0.4 1 42 6 7 SER CB C 66.451 0.4 1 43 6 7 SER N N 117.162 0.1 1 44 7 8 PHE H H 9.326 0.02 1 45 7 8 PHE HA H 4.85 0.02 1 46 7 8 PHE HB2 H 3.104 0.02 2 47 7 8 PHE HB3 H 3.287 0.02 2 48 7 8 PHE HD1 H 7.289 0.02 1 49 7 8 PHE HD2 H 7.289 0.02 1 50 7 8 PHE HE1 H 7.229 0.02 1 51 7 8 PHE HE2 H 7.229 0.02 1 52 7 8 PHE HZ H 6.861 0.02 1 53 7 8 PHE C C 171.66 0.4 1 54 7 8 PHE CA C 55.368 0.4 1 55 7 8 PHE CB C 40.857 0.4 1 56 7 8 PHE CD1 C 132.745 0.4 1 57 7 8 PHE CD2 C 132.745 0.4 1 58 7 8 PHE CE1 C 131.93 0.4 1 59 7 8 PHE CE2 C 131.93 0.4 1 60 7 8 PHE CZ C 129.618 0.4 1 61 7 8 PHE N N 122.295 0.1 1 62 8 9 PHE H H 8.601 0.02 1 63 8 9 PHE HA H 5.144 0.02 1 64 8 9 PHE HB2 H 2.649 0.02 2 65 8 9 PHE HB3 H 2.877 0.02 2 66 8 9 PHE HD1 H 7.126 0.02 1 67 8 9 PHE HD2 H 7.126 0.02 1 68 8 9 PHE HE1 H 7.327 0.02 1 69 8 9 PHE HE2 H 7.327 0.02 1 70 8 9 PHE HZ H 7.284 0.02 1 71 8 9 PHE C C 175.295 0.4 1 72 8 9 PHE CA C 57.104 0.4 1 73 8 9 PHE CB C 40.334 0.4 1 74 8 9 PHE CD1 C 131.759 0.4 1 75 8 9 PHE CD2 C 131.759 0.4 1 76 8 9 PHE CE1 C 131.68 0.4 1 77 8 9 PHE CE2 C 131.68 0.4 1 78 8 9 PHE CZ C 129.715 0.4 1 79 8 9 PHE N N 118.591 0.1 1 80 9 10 VAL H H 9.055 0.02 1 81 9 10 VAL HA H 4.372 0.02 1 82 9 10 VAL HB H 1.648 0.02 1 83 9 10 VAL HG1 H 0.521 0.02 2 84 9 10 VAL HG2 H 0.644 0.02 2 85 9 10 VAL CA C 59.794 0.4 1 86 9 10 VAL CB C 33.836 0.4 1 87 9 10 VAL CG1 C 22.131 0.4 2 88 9 10 VAL CG2 C 21.065 0.4 2 89 9 10 VAL N N 124.092 0.1 1 90 10 11 GLN H H 8.718 0.02 1 91 10 11 GLN HA H 4.942 0.02 1 92 10 11 GLN HB2 H 1.863 0.02 2 93 10 11 GLN HB3 H 2.287 0.02 2 94 10 11 GLN HG2 H 2.159 0.02 2 95 10 11 GLN HG3 H 2.533 0.02 2 96 10 11 GLN C C 175.357 0.4 1 97 10 11 GLN CA C 54.528 0.4 1 98 10 11 GLN CB C 29.395 0.4 1 99 10 11 GLN CG C 34.365 0.4 1 100 10 11 GLN N N 125.67 0.1 1 101 11 12 VAL H H 9.166 0.02 1 102 11 12 VAL HA H 4.453 0.02 1 103 11 12 VAL HB H 1.798 0.02 1 104 11 12 VAL HG1 H 0.714 0.02 2 105 11 12 VAL HG2 H 0.81 0.02 2 106 11 12 VAL C C 175.803 0.4 1 107 11 12 VAL CA C 62.261 0.4 1 108 11 12 VAL CB C 33.332 0.4 1 109 11 12 VAL CG1 C 20.418 0.4 2 110 11 12 VAL CG2 C 23.533 0.4 2 111 11 12 VAL N N 125.314 0.1 1 112 12 13 HIS H H 9.471 0.02 1 113 12 13 HIS HA H 5.088 0.02 1 114 12 13 HIS HB2 H 3.19 0.02 2 115 12 13 HIS HB3 H 3.225 0.02 2 116 12 13 HIS HD2 H 7.522 0.02 2 117 12 13 HIS HE1 H 8.024 0.02 1 118 12 13 HIS CA C 56.475 0.4 1 119 12 13 HIS CB C 31.486 0.4 1 120 12 13 HIS CD2 C 121.661 0.4 1 121 12 13 HIS CE1 C 137.487 0.4 1 122 12 13 HIS N N 128.458 0.1 1 123 13 14 ASP H H 8.817 0.02 1 124 13 14 ASP HA H 4.73 0.02 1 125 13 14 ASP HB2 H 2.705 0.02 2 126 13 14 ASP HB3 H 2.947 0.02 2 127 13 14 ASP CA C 52.168 0.4 1 128 13 14 ASP CB C 38.861 0.4 1 129 13 14 ASP N N 115.51 0.1 1 130 14 15 VAL H H 8.127 0.02 1 131 14 15 VAL HA H 4.697 0.02 1 132 14 15 VAL HB H 1.985 0.02 1 133 14 15 VAL HG1 H 0.737 0.02 1 134 14 15 VAL HG2 H 0.737 0.02 1 135 14 15 VAL N N 118.89 0.1 1 136 15 16 SER HA H 4.857 0.02 1 137 15 16 SER HB2 H 3.647 0.02 2 138 15 16 SER HB3 H 4.078 0.02 2 139 15 16 SER CA C 56.167 0.4 1 140 15 16 SER CB C 64.697 0.4 1 141 16 17 PRO HA H 4.25 0.02 1 142 16 17 PRO HB2 H 1.906 0.02 2 143 16 17 PRO HB3 H 2.385 0.02 2 144 16 17 PRO HG2 H 1.947 0.02 2 145 16 17 PRO HG3 H 2.141 0.02 2 146 16 17 PRO HD2 H 3.888 0.02 1 147 16 17 PRO HD3 H 3.888 0.02 1 148 16 17 PRO CA C 65.442 0.4 1 149 16 17 PRO CB C 31.951 0.4 1 150 16 17 PRO CG C 28.266 0.4 1 151 16 17 PRO CD C 51.18 0.4 1 152 18 19 GLN HA H 4.75 0.02 1 153 18 19 GLN HB2 H 1.695 0.02 2 154 18 19 GLN HB3 H 1.918 0.02 2 155 18 19 GLN HG2 H 2.032 0.02 2 156 18 19 GLN HG3 H 2.145 0.02 2 157 18 19 GLN CA C 53.013 0.4 1 158 18 19 GLN CB C 29.809 0.4 1 159 18 19 GLN CG C 33.792 0.4 1 160 19 20 PRO HA H 4.523 0.02 1 161 19 20 PRO HB2 H 2.025 0.02 2 162 19 20 PRO HB3 H 2.478 0.02 2 163 19 20 PRO HG2 H 2.02 0.02 1 164 19 20 PRO HG3 H 2.02 0.02 1 165 19 20 PRO HD2 H 3.374 0.02 2 166 19 20 PRO HD3 H 3.74 0.02 2 167 19 20 PRO CA C 65.227 0.4 1 168 19 20 PRO CB C 32.441 0.4 1 169 19 20 PRO CG C 27.304 0.4 1 170 19 20 PRO CD C 50.48 0.4 1 171 20 21 LEU HA H 4.67 0.02 1 172 20 21 LEU HB2 H 1.242 0.02 2 173 20 21 LEU HB3 H 1.543 0.02 2 174 20 21 LEU HG H 1.145 0.02 1 175 20 21 LEU HD1 H 0.39 0.02 2 176 20 21 LEU HD2 H 0.628 0.02 2 177 20 21 LEU CA C 54.957 0.4 1 178 20 21 LEU CB C 45.165 0.4 1 179 20 21 LEU CG C 27.185 0.4 1 180 20 21 LEU CD1 C 23.137 0.4 2 181 20 21 LEU CD2 C 24.754 0.4 2 182 21 22 THR HA H 4.449 0.02 1 183 21 22 THR HB H 3.831 0.02 1 184 21 22 THR HG2 H 1.114 0.02 1 185 21 22 THR C C 172.018 0.4 1 186 21 22 THR CA C 62.162 0.4 1 187 21 22 THR CB C 70.726 0.4 1 188 21 22 THR CG2 C 21.252 0.4 1 189 22 23 VAL H H 8.66 0.02 1 190 22 23 VAL HA H 4.869 0.02 1 191 22 23 VAL HB H 1.909 0.02 1 192 22 23 VAL HG1 H 0.808 0.02 1 193 22 23 VAL HG2 H 0.808 0.02 1 194 22 23 VAL C C 175.48 0.4 1 195 22 23 VAL CA C 61.483 0.4 1 196 22 23 VAL CB C 33.039 0.4 1 197 22 23 VAL N N 127.545 0.1 1 198 23 24 ILE H H 8.744 0.02 1 199 23 24 ILE HA H 4.596 0.02 1 200 23 24 ILE HB H 1.74 0.02 1 201 23 24 ILE HG12 H 1.014 0.02 2 202 23 24 ILE HG13 H 1.244 0.02 2 203 23 24 ILE HG2 H 0.685 0.02 1 204 23 24 ILE HD1 H 0.634 0.02 1 205 23 24 ILE C C 173.718 0.4 1 206 23 24 ILE CA C 58.191 0.4 1 207 23 24 ILE CB C 41.124 0.4 1 208 23 24 ILE CG1 C 26.11 0.4 1 209 23 24 ILE CG2 C 18.284 0.4 1 210 23 24 ILE CD1 C 13.925 0.4 1 211 23 24 ILE N N 124.451 0.1 1 212 24 25 LYS H H 8.392 0.02 1 213 24 25 LYS HA H 4.365 0.02 1 214 24 25 LYS HB2 H 1.289 0.02 2 215 24 25 LYS HB3 H 1.653 0.02 2 216 24 25 LYS HG2 H 0.329 0.02 2 217 24 25 LYS HG3 H 0.699 0.02 2 218 24 25 LYS HD2 H 1.404 0.02 1 219 24 25 LYS HD3 H 1.404 0.02 1 220 24 25 LYS HE2 H 2.638 0.02 1 221 24 25 LYS HE3 H 2.638 0.02 1 222 24 25 LYS C C 174.958 0.4 1 223 24 25 LYS CA C 54.792 0.4 1 224 24 25 LYS CB C 32.854 0.4 1 225 24 25 LYS CG C 24.941 0.4 1 226 24 25 LYS CD C 29.248 0.4 1 227 24 25 LYS CE C 41.493 0.4 1 228 24 25 LYS N N 126.373 0.1 1 229 25 26 ALA H H 8.694 0.02 1 230 25 26 ALA HA H 5 0.02 1 231 25 26 ALA HB H 0.973 0.02 1 232 25 26 ALA CA C 48.88 0.4 1 233 25 26 ALA CB C 20.862 0.4 1 234 25 26 ALA N N 131.495 0.1 1 235 26 27 PRO HA H 4.727 0.02 1 236 26 27 PRO HB2 H 1.735 0.02 2 237 26 27 PRO HB3 H 2.487 0.02 2 238 26 27 PRO HG2 H 1.962 0.02 2 239 26 27 PRO HG3 H 2.082 0.02 2 240 26 27 PRO HD2 H 3.535 0.02 2 241 26 27 PRO HD3 H 3.825 0.02 2 242 26 27 PRO CA C 62.73 0.4 1 243 26 27 PRO CB C 32.626 0.4 1 244 26 27 PRO CG C 28.085 0.4 1 245 26 27 PRO CD C 50.431 0.4 1 246 27 28 ARG H H 9.013 0.02 1 247 27 28 ARG HA H 3.842 0.02 1 248 27 28 ARG HB2 H 1.045 0.02 2 249 27 28 ARG HB3 H 1.346 0.02 2 250 27 28 ARG HG2 H 0.398 0.02 2 251 27 28 ARG HG3 H 0.899 0.02 2 252 27 28 ARG HD2 H 1.836 0.02 2 253 27 28 ARG HD3 H 2.338 0.02 2 254 27 28 ARG C C 178.382 0.4 1 255 27 28 ARG CA C 60.224 0.4 1 256 27 28 ARG CB C 29.63 0.4 1 257 27 28 ARG CG C 28.823 0.4 1 258 27 28 ARG CD C 43.045 0.4 1 259 27 28 ARG N N 125.529 0.1 1 260 28 29 VAL H H 7.355 0.02 1 261 28 29 VAL HA H 4.251 0.02 1 262 28 29 VAL HB H 2.465 0.02 1 263 28 29 VAL HG1 H 0.94 0.02 2 264 28 29 VAL HG2 H 0.862 0.02 2 265 28 29 VAL C C 176.454 0.4 1 266 28 29 VAL CA C 62.411 0.4 1 267 28 29 VAL CB C 31.484 0.4 1 268 28 29 VAL CG1 C 20.724 0.4 2 269 28 29 VAL CG2 C 18.108 0.4 2 270 28 29 VAL N N 110.346 0.1 1 271 29 30 SER H H 7.776 0.02 1 272 29 30 SER HA H 4.602 0.02 1 273 29 30 SER HB2 H 4.032 0.02 1 274 29 30 SER HB3 H 4.032 0.02 1 275 29 30 SER C C 175.507 0.4 1 276 29 30 SER CA C 61 0.4 1 277 29 30 SER CB C 64.432 0.4 1 278 29 30 SER N N 117.384 0.1 1 279 30 31 THR H H 9.59 0.02 1 280 30 31 THR HA H 4.97 0.02 1 281 30 31 THR HB H 4.738 0.02 1 282 30 31 THR HG2 H 1.275 0.02 1 283 30 31 THR C C 176.142 0.4 1 284 30 31 THR CA C 60.579 0.4 1 285 30 31 THR CB C 72.121 0.4 1 286 30 31 THR CG2 C 21.795 0.4 1 287 30 31 THR N N 118.284 0.1 1 288 31 32 ALA H H 8.277 0.02 1 289 31 32 ALA HA H 3.658 0.02 1 290 31 32 ALA HB H 1.542 0.02 1 291 31 32 ALA C C 179.303 0.4 1 292 31 32 ALA CA C 56.412 0.4 1 293 31 32 ALA CB C 18.472 0.4 1 294 31 32 ALA N N 124.337 0.1 1 295 32 33 GLN H H 8.249 0.02 1 296 32 33 GLN HA H 3.904 0.02 1 297 32 33 GLN HB2 H 2.008 0.02 1 298 32 33 GLN HB3 H 2.008 0.02 1 299 32 33 GLN HG2 H 2.301 0.02 2 300 32 33 GLN HG3 H 2.345 0.02 2 301 32 33 GLN HE21 H 6.867 0.02 2 302 32 33 GLN HE22 H 7.68 0.02 2 303 32 33 GLN C C 178.274 0.4 1 304 32 33 GLN CA C 59.4 0.4 1 305 32 33 GLN CB C 29.074 0.4 1 306 32 33 GLN CG C 35.401 0.4 1 307 32 33 GLN N N 115.744 0.1 1 308 32 33 GLN NE2 N 114.36 0.1 1 309 33 34 ASP H H 7.792 0.02 1 310 33 34 ASP HA H 4.321 0.02 1 311 33 34 ASP HB2 H 2.853 0.02 2 312 33 34 ASP HB3 H 3.147 0.02 2 313 33 34 ASP C C 179.199 0.4 1 314 33 34 ASP CA C 57.693 0.4 1 315 33 34 ASP CB C 40.689 0.4 1 316 33 34 ASP N N 121.048 0.1 1 317 34 35 VAL H H 8.255 0.02 1 318 34 35 VAL HA H 3.489 0.02 1 319 34 35 VAL HB H 2.054 0.02 1 320 34 35 VAL HG1 H 0.629 0.02 2 321 34 35 VAL HG2 H 0.839 0.02 2 322 34 35 VAL C C 179.517 0.4 1 323 34 35 VAL CA C 66.693 0.4 1 324 34 35 VAL CB C 31.263 0.4 1 325 34 35 VAL CG1 C 21.56 0.4 2 326 34 35 VAL CG2 C 23.734 0.4 2 327 34 35 VAL N N 120.797 0.1 1 328 35 36 ILE H H 9.014 0.02 1 329 35 36 ILE HA H 3.209 0.02 1 330 35 36 ILE HB H 1.863 0.02 1 331 35 36 ILE HG12 H 0.546 0.02 2 332 35 36 ILE HG13 H 1.763 0.02 2 333 35 36 ILE HG2 H 0.816 0.02 1 334 35 36 ILE HD1 H 0.74 0.02 1 335 35 36 ILE C C 177.309 0.4 1 336 35 36 ILE CA C 67.067 0.4 1 337 35 36 ILE CB C 38.268 0.4 1 338 35 36 ILE CG1 C 30.068 0.4 1 339 35 36 ILE CG2 C 18.071 0.4 1 340 35 36 ILE CD1 C 14.095 0.4 1 341 35 36 ILE N N 125.552 0.1 1 342 36 37 GLN H H 8.264 0.02 1 343 36 37 GLN HA H 3.857 0.02 1 344 36 37 GLN HB2 H 2.204 0.02 2 345 36 37 GLN HB3 H 2.253 0.02 2 346 36 37 GLN HG2 H 2.32 0.02 2 347 36 37 GLN HG3 H 2.497 0.02 2 348 36 37 GLN C C 178.876 0.4 1 349 36 37 GLN CA C 60.104 0.4 1 350 36 37 GLN CB C 28.011 0.4 1 351 36 37 GLN CG C 34.01 0.4 1 352 36 37 GLN N N 118.786 0.1 1 353 37 38 GLN H H 8.116 0.02 1 354 37 38 GLN HA H 4.01 0.02 1 355 37 38 GLN HB2 H 2.034 0.02 1 356 37 38 GLN HB3 H 2.034 0.02 1 357 37 38 GLN HG2 H 2.339 0.02 2 358 37 38 GLN HG3 H 2.518 0.02 2 359 37 38 GLN C C 178.959 0.4 1 360 37 38 GLN CA C 59.278 0.4 1 361 37 38 GLN CB C 29.142 0.4 1 362 37 38 GLN CG C 34.204 0.4 1 363 37 38 GLN N N 118.166 0.1 1 364 38 39 THR H H 8.392 0.02 1 365 38 39 THR HA H 3.565 0.02 1 366 38 39 THR HB H 4.157 0.02 1 367 38 39 THR HG2 H 0.955 0.02 1 368 38 39 THR CA C 67.957 0.4 1 369 38 39 THR CB C 67.517 0.4 1 370 38 39 THR CG2 C 22.109 0.4 1 371 38 39 THR N N 118.704 0.1 1 372 39 40 LEU H H 8.23 0.02 1 373 39 40 LEU HA H 3.707 0.02 1 374 39 40 LEU HB2 H 1.326 0.02 2 375 39 40 LEU HB3 H 1.666 0.02 2 376 39 40 LEU HG H 1.512 0.02 1 377 39 40 LEU HD1 H 0.27 0.02 2 378 39 40 LEU HD2 H 0.33 0.02 2 379 39 40 LEU C C 179.479 0.4 1 380 39 40 LEU CA C 58.006 0.4 1 381 39 40 LEU CB C 40.992 0.4 1 382 39 40 LEU CG C 27.628 0.4 1 383 39 40 LEU CD1 C 22.433 0.4 2 384 39 40 LEU CD2 C 25.113 0.4 2 385 39 40 LEU N N 120.892 0.1 1 386 40 41 CYS H H 7.601 0.02 1 387 40 41 CYS HA H 4.121 0.02 1 388 40 41 CYS HB2 H 2.985 0.02 1 389 40 41 CYS HB3 H 2.985 0.02 1 390 40 41 CYS C C 176.707 0.4 1 391 40 41 CYS CA C 62.199 0.4 1 392 40 41 CYS CB C 26.571 0.4 1 393 40 41 CYS N N 116.129 0.1 1 394 41 42 LYS H H 7.631 0.02 1 395 41 42 LYS HA H 4.159 0.02 1 396 41 42 LYS HB2 H 1.840 0.02 1 397 41 42 LYS HB3 H 1.840 0.02 1 398 41 42 LYS HG2 H 1.456 0.02 1 399 41 42 LYS HG3 H 1.456 0.02 1 400 41 42 LYS HD2 H 1.247 0.02 1 401 41 42 LYS HD3 H 1.247 0.02 1 402 41 42 LYS C C 177.843 0.4 1 403 41 42 LYS N N 119.791 0.1 1 404 42 43 ALA H H 7.96 0.02 1 405 42 43 ALA HA H 4.392 0.02 1 406 42 43 ALA HB H 1.275 0.02 1 407 42 43 ALA C C 177.883 0.4 1 408 42 43 ALA CA C 52.218 0.4 1 409 42 43 ALA CB C 18.957 0.4 1 410 42 43 ALA N N 122.299 0.1 1 411 43 44 LYS H H 7.319 0.02 1 412 43 44 LYS HA H 3.974 0.02 1 413 43 44 LYS HB2 H 1.687 0.02 1 414 43 44 LYS HB3 H 1.687 0.02 1 415 43 44 LYS HG2 H 0.933 0.02 2 416 43 44 LYS HG3 H 1.068 0.02 2 417 43 44 LYS HD2 H 1.544 0.02 1 418 43 44 LYS HD3 H 1.544 0.02 1 419 43 44 LYS HE2 H 2.882 0.02 1 420 43 44 LYS HE3 H 2.882 0.02 1 421 43 44 LYS C C 176.446 0.4 1 422 43 44 LYS CA C 58.019 0.4 1 423 43 44 LYS CB C 32.422 0.4 1 424 43 44 LYS CG C 23.895 0.4 1 425 43 44 LYS CD C 29.477 0.4 1 426 43 44 LYS CE C 41.929 0.4 1 427 43 44 LYS N N 118.783 0.1 1 428 44 45 TYR H H 7.946 0.02 1 429 44 45 TYR HA H 4.542 0.02 1 430 44 45 TYR HB2 H 2.84 0.02 2 431 44 45 TYR HB3 H 3.163 0.02 2 432 44 45 TYR HD1 H 7.122 0.02 1 433 44 45 TYR HD2 H 7.122 0.02 1 434 44 45 TYR HE1 H 6.818 0.02 1 435 44 45 TYR HE2 H 6.818 0.02 1 436 44 45 TYR C C 176.357 0.4 1 437 44 45 TYR CA C 58.028 0.4 1 438 44 45 TYR CB C 37.976 0.4 1 439 44 45 TYR CD1 C 133.183 0.4 1 440 44 45 TYR CD2 C 133.183 0.4 1 441 44 45 TYR CE1 C 118.28 0.4 1 442 44 45 TYR CE2 C 118.28 0.4 1 443 44 45 TYR N N 117.502 0.1 1 444 45 46 SER H H 7.901 0.02 1 445 45 46 SER HA H 4.363 0.02 1 446 45 46 SER HB2 H 3.756 0.02 1 447 45 46 SER HB3 H 3.756 0.02 1 448 45 46 SER CA C 58.478 0.4 1 449 45 46 SER CB C 63.605 0.4 1 450 45 46 SER N N 116.684 0.1 1 451 46 47 TYR HA H 4.346 0.02 1 452 46 47 TYR HB2 H 3.081 0.02 1 453 46 47 TYR HB3 H 3.081 0.02 1 454 46 47 TYR HD1 H 7.119 0.02 1 455 46 47 TYR HD2 H 7.119 0.02 1 456 46 47 TYR HE1 H 6.814 0.02 1 457 46 47 TYR HE2 H 6.814 0.02 1 458 46 47 TYR CA C 60.221 0.4 1 459 46 47 TYR CB C 38.129 0.4 1 460 46 47 TYR CD1 C 133.19 0.4 1 461 46 47 TYR CD2 C 133.19 0.4 1 462 46 47 TYR CE1 C 118.28 0.4 1 463 46 47 TYR CE2 C 118.28 0.4 1 464 47 48 SER HA H 4.25 0.03 1 465 47 48 SER HB2 H 3.78 0.03 1 466 47 48 SER HB3 H 3.78 0.03 1 467 47 48 SER CA C 59.60 0.4 1 468 47 48 SER CB C 63.60 0.4 1 469 48 49 ILE HA H 4.009 0.02 1 470 48 49 ILE HB H 1.919 0.02 1 471 48 49 ILE HG12 H 1.238 0.02 1 472 48 49 ILE HG13 H 1.238 0.02 1 473 48 49 ILE HG2 H 0.84 0.02 1 474 48 49 ILE HD1 H 0.653 0.02 1 475 48 49 ILE CA C 61.226 0.4 1 476 48 49 ILE CB C 37.088 0.4 1 477 48 49 ILE CG1 C 27.757 0.4 1 478 48 49 ILE CG2 C 18.089 0.4 1 479 48 49 ILE CD1 C 11.353 0.4 1 480 49 50 LEU HA H 4.188 0.02 1 481 49 50 LEU HB2 H 1.465 0.02 2 482 49 50 LEU HB3 H 1.651 0.02 2 483 49 50 LEU HG H 1.655 0.02 1 484 49 50 LEU HD1 H 0.846 0.02 2 485 49 50 LEU HD2 H 0.865 0.02 2 486 49 50 LEU CA C 56.543 0.4 1 487 49 50 LEU CB C 42.207 0.4 1 488 49 50 LEU CG C 27.023 0.4 1 489 49 50 LEU CD1 C 25.324 0.4 2 490 49 50 LEU CD2 C 23.733 0.4 2 491 50 51 SER HA H 4.24 0.03 1 492 50 51 SER HB2 H 3.95 0.03 1 493 50 51 SER HB3 H 3.95 0.03 1 494 50 51 SER CA C 60.1 0.4 1 495 50 51 SER CB C 63.0 0.4 1 496 51 52 ASN HA H 5.012 0.02 1 497 51 52 ASN HB2 H 2.703 0.02 2 498 51 52 ASN HB3 H 2.792 0.02 2 499 51 52 ASN CA C 51.594 0.4 1 500 51 52 ASN CB C 39.154 0.4 1 501 52 53 PRO HA H 4.609 0.02 1 502 52 53 PRO HB2 H 2.01 0.02 2 503 52 53 PRO HB3 H 2.224 0.02 2 504 52 53 PRO HG2 H 1.85 0.02 2 505 52 53 PRO HG3 H 1.984 0.02 2 506 52 53 PRO HD2 H 3.526 0.02 2 507 52 53 PRO HD3 H 3.666 0.02 2 508 52 53 PRO C C 176.098 0.4 1 509 52 53 PRO CA C 63.332 0.4 1 510 52 53 PRO CB C 32.292 0.4 1 511 52 53 PRO CG C 26.606 0.4 1 512 52 53 PRO CD C 49.921 0.4 1 513 53 54 ASN H H 8.598 0.02 1 514 53 54 ASN HA H 5.016 0.02 1 515 53 54 ASN HB2 H 2.802 0.02 2 516 53 54 ASN HB3 H 3.107 0.02 2 517 53 54 ASN CA C 50.618 0.4 1 518 53 54 ASN CB C 39.217 0.4 1 519 53 54 ASN N N 121.773 0.1 1 520 54 55 PRO HA H 4.193 0.02 1 521 54 55 PRO HB2 H 2.019 0.02 2 522 54 55 PRO HG2 H 1.965 0.02 2 523 54 55 PRO HG3 H 2.174 0.02 2 524 54 55 PRO HD2 H 4.066 0.02 2 525 54 55 PRO HD3 H 4.147 0.02 2 526 54 55 PRO C C 178.005 0.4 1 527 54 55 PRO CA C 65.419 0.4 1 528 54 55 PRO CB C 32.285 0.4 1 529 54 55 PRO CG C 27.666 0.4 1 530 54 55 PRO CD C 51.067 0.4 1 531 55 56 SER H H 7.895 0.02 1 532 55 56 SER HA H 4.334 0.02 1 533 55 56 SER HB2 H 3.896 0.02 1 534 55 56 SER HB3 H 3.896 0.02 1 535 55 56 SER C C 174.701 0.4 1 536 55 56 SER CA C 60.32 0.4 1 537 55 56 SER CB C 62.849 0.4 1 538 55 56 SER N N 111.064 0.1 1 539 56 57 ASP H H 7.959 0.02 1 540 56 57 ASP HA H 4.738 0.02 1 541 56 57 ASP HB2 H 2.534 0.02 2 542 56 57 ASP HB3 H 2.773 0.02 2 543 56 57 ASP C C 175.34 0.4 1 544 56 57 ASP CA C 54.918 0.4 1 545 56 57 ASP CB C 40.678 0.4 1 546 56 57 ASP N N 119.702 0.1 1 547 57 58 TYR H H 7.814 0.02 1 548 57 58 TYR HA H 5.198 0.02 1 549 57 58 TYR HB2 H 2.94 0.02 1 550 57 58 TYR HB3 H 2.94 0.02 1 551 57 58 TYR HD1 H 6.988 0.02 1 552 57 58 TYR HD2 H 6.988 0.02 1 553 57 58 TYR HE1 H 6.683 0.02 1 554 57 58 TYR HE2 H 6.683 0.02 1 555 57 58 TYR C C 174.652 0.4 1 556 57 58 TYR CA C 58.283 0.4 1 557 57 58 TYR CB C 43.354 0.4 1 558 57 58 TYR CD1 C 133.512 0.4 1 559 57 58 TYR CD2 C 133.512 0.4 1 560 57 58 TYR CE1 C 118.301 0.4 1 561 57 58 TYR CE2 C 118.301 0.4 1 562 57 58 TYR N N 119.812 0.1 1 563 58 59 VAL H H 9.279 0.02 1 564 58 59 VAL HA H 4.579 0.02 1 565 58 59 VAL HB H 2.243 0.02 1 566 58 59 VAL HG1 H 0.698 0.02 2 567 58 59 VAL HG2 H 0.889 0.02 2 568 58 59 VAL C C 173.946 0.4 1 569 58 59 VAL CA C 59.274 0.4 1 570 58 59 VAL CB C 35.708 0.4 1 571 58 59 VAL CG1 C 19.214 0.4 2 572 58 59 VAL CG2 C 22.928 0.4 2 573 58 59 VAL N N 112.141 0.1 1 574 59 60 LEU H H 9.308 0.02 1 575 59 60 LEU HA H 5.128 0.02 1 576 59 60 LEU HB2 H 1.483 0.02 1 577 59 60 LEU HB3 H 1.483 0.02 1 578 59 60 LEU HD1 H 0.625 0.02 2 579 59 60 LEU HD2 H 0.663 0.02 2 580 59 60 LEU C C 174.862 0.4 1 581 59 60 LEU CA C 53.11 0.4 1 582 59 60 LEU CB C 44.529 0.4 1 583 59 60 LEU CD1 C 25.039 0.4 2 584 59 60 LEU CD2 C 25.259 0.4 2 585 59 60 LEU N N 121.33 0.1 1 586 60 61 LEU H H 9.427 0.02 1 587 60 61 LEU HA H 5.193 0.02 1 588 60 61 LEU HB2 H 1.399 0.02 2 589 60 61 LEU HB3 H 1.617 0.02 2 590 60 61 LEU HG H 1.543 0.02 1 591 60 61 LEU HD1 H 0.735 0.02 2 592 60 61 LEU HD2 H 0.762 0.02 2 593 60 61 LEU C C 176.429 0.4 1 594 60 61 LEU CA C 53.342 0.4 1 595 60 61 LEU CB C 45.439 0.4 1 596 60 61 LEU CG C 27.572 0.4 1 597 60 61 LEU CD1 C 26.58 0.4 2 598 60 61 LEU CD2 C 26.077 0.4 2 599 60 61 LEU N N 124.357 0.1 1 600 61 62 GLU H H 9.261 0.02 1 601 61 62 GLU HA H 5.456 0.02 1 602 61 62 GLU HB2 H 1.92 0.02 2 603 61 62 GLU HB3 H 2.308 0.02 2 604 61 62 GLU HG2 H 2.099 0.02 2 605 61 62 GLU HG3 H 2.162 0.02 2 606 61 62 GLU C C 175.121 0.4 1 607 61 62 GLU CA C 53.773 0.4 1 608 61 62 GLU CB C 33.059 0.4 1 609 61 62 GLU CG C 37.086 0.4 1 610 61 62 GLU N N 122.427 0.1 1 611 62 63 GLU H H 8.694 0.02 1 612 62 63 GLU HA H 5.133 0.02 1 613 62 63 GLU HB2 H 1.577 0.02 2 614 62 63 GLU HB3 H 1.702 0.02 2 615 62 63 GLU HG2 H 1.737 0.02 2 616 62 63 GLU HG3 H 1.944 0.02 2 617 62 63 GLU C C 175.182 0.4 1 618 62 63 GLU CA C 54.513 0.4 1 619 62 63 GLU CB C 33.327 0.4 1 620 62 63 GLU CG C 37.258 0.4 1 621 62 63 GLU N N 127.185 0.1 1 622 63 64 VAL H H 8.269 0.02 1 623 63 64 VAL HA H 4.28 0.02 1 624 63 64 VAL HB H 1.613 0.02 1 625 63 64 VAL HG1 H 0.184 0.02 2 626 63 64 VAL HG2 H 0.373 0.02 2 627 63 64 VAL C C 175.231 0.4 1 628 63 64 VAL CA C 60.2 0.4 1 629 63 64 VAL CB C 34.673 0.4 1 630 63 64 VAL CG1 C 19.96 0.4 2 631 63 64 VAL CG2 C 20.762 0.4 2 632 63 64 VAL N N 124.697 0.1 1 633 64 65 VAL H H 8.161 0.02 1 634 64 65 VAL HA H 4.119 0.02 1 635 64 65 VAL HB H 1.915 0.02 1 636 64 65 VAL HG1 H 0.793 0.02 1 637 64 65 VAL HG2 H 0.793 0.02 1 638 64 65 VAL C C 175.873 0.4 1 639 64 65 VAL CA C 62.003 0.4 1 640 64 65 VAL CB C 32.618 0.4 1 641 64 65 VAL N N 126.767 0.1 1 642 65 66 LYS H H 8.449 0.02 1 643 65 66 LYS HA H 4.291 0.02 1 644 65 66 LYS HB2 H 1.660 0.02 2 645 65 66 LYS HB3 H 1.735 0.02 2 646 65 66 LYS HG2 H 1.325 0.02 1 647 65 66 LYS HG3 H 1.325 0.02 1 648 65 66 LYS C C 176.03 0.4 1 649 65 66 LYS N N 127.269 0.1 1 650 66 67 ASP H H 8.328 0.02 1 651 66 67 ASP HA H 4.666 0.02 1 652 66 67 ASP HB2 H 2.602 0.02 2 653 66 67 ASP HB3 H 2.689 0.02 2 654 66 67 ASP C C 176.595 0.4 1 655 66 67 ASP CA C 54.215 0.4 1 656 66 67 ASP CB C 41.718 0.4 1 657 66 67 ASP N N 121.917 0.1 1 658 67 68 THR H H 8.245 0.02 1 659 67 68 THR HA H 4.401 0.02 1 660 67 68 THR HB H 4.276 0.02 1 661 67 68 THR HG2 H 1.136 0.02 1 662 67 68 THR CA C 61.431 0.4 1 663 67 68 THR N N 114.838 0.1 1 664 68 69 THR H H 8.275 0.02 1 665 68 69 THR HA H 4.294 0.02 1 666 68 69 THR CA C 62.558 0.4 1 667 68 69 THR N N 115.923 0.1 1 668 69 70 ASN H H 8.393 0.02 1 669 69 70 ASN HA H 4.664 0.02 1 670 69 70 ASN HB2 H 2.794 0.02 2 671 69 70 ASN HB3 H 2.883 0.02 2 672 69 70 ASN CA C 53.291 0.4 1 673 69 70 ASN CB C 38.567 0.4 1 674 69 70 ASN N N 120.302 0.1 1 675 70 71 LYS H H 8.224 0.02 1 676 70 71 LYS N N 121.036 0.1 1 677 72 73 THR HA H 4.449 0.02 1 678 72 73 THR CA C 61.335 0.4 1 679 73 74 THR H H 7.987 0.02 1 680 73 74 THR HA H 4.384 0.02 1 681 73 74 THR HG2 H 1.129 0.02 1 682 73 74 THR C C 174.618 0.4 1 683 73 74 THR CA C 61.765 0.4 1 684 73 74 THR N N 116.517 0.1 1 685 74 75 THR H H 8.063 0.02 1 686 74 75 THR HA H 4.584 0.02 1 687 74 75 THR HB H 4.097 0.02 1 688 74 75 THR HG2 H 1.149 0.02 1 689 74 75 THR CA C 59.586 0.4 1 690 74 75 THR CB C 69.727 0.4 1 691 74 75 THR N N 118.415 0.1 1 692 75 76 PRO HA H 4.41 0.02 1 693 75 76 PRO HB2 H 1.9 0.02 2 694 75 76 PRO HB3 H 2.252 0.02 2 695 75 76 PRO HG2 H 1.994 0.02 1 696 75 76 PRO HG3 H 1.994 0.02 1 697 75 76 PRO HD2 H 3.659 0.02 2 698 75 76 PRO HD3 H 3.799 0.02 2 699 75 76 PRO C C 176.79 0.4 1 700 75 76 PRO CA C 63.156 0.4 1 701 75 76 PRO CB C 32.301 0.4 1 702 75 76 PRO CG C 27.432 0.4 1 703 75 76 PRO CD C 51.089 0.4 1 704 76 77 LYS H H 8.475 0.02 1 705 76 77 LYS HA H 4.316 0.03 1 706 76 77 LYS HB2 H 1.798 0.03 2 707 76 77 LYS HB3 H 2.010 0.03 2 708 76 77 LYS HG2 H 1.422 0.03 1 709 76 77 LYS HG3 H 1.422 0.03 1 710 76 77 LYS C C 176.1 0.4 1 711 76 77 LYS N N 122.311 0.1 1 712 77 78 SER H H 8.241 0.02 1 713 77 78 SER HA H 4.911 0.02 1 714 77 78 SER HB2 H 3.615 0.02 2 715 77 78 SER HB3 H 3.635 0.02 2 716 77 78 SER C C 173.934 0.4 1 717 77 78 SER CA C 57.179 0.4 1 718 77 78 SER CB C 65.003 0.4 1 719 77 78 SER N N 116.513 0.1 1 720 78 79 SER H H 8.59 0.02 1 721 78 79 SER HA H 4.673 0.02 1 722 78 79 SER HB2 H 3.765 0.02 1 723 78 79 SER HB3 H 3.765 0.02 1 724 78 79 SER C C 173.445 0.4 1 725 78 79 SER CA C 57.409 0.4 1 726 78 79 SER CB C 65.113 0.4 1 727 78 79 SER N N 117.149 0.1 1 728 79 80 GLN H H 8.458 0.02 1 729 79 80 GLN HA H 5.592 0.02 1 730 79 80 GLN HB2 H 1.803 0.02 2 731 79 80 GLN HB3 H 1.972 0.02 2 732 79 80 GLN HG2 H 2.077 0.02 2 733 79 80 GLN HG3 H 2.366 0.02 2 734 79 80 GLN CA C 54.268 0.4 1 735 79 80 GLN CB C 32.324 0.4 1 736 79 80 GLN CG C 34.064 0.4 1 737 79 80 GLN N N 121.498 0.1 1 738 80 81 ARG H H 8.769 0.02 1 739 80 81 ARG HA H 4.669 0.02 1 740 80 81 ARG HB2 H 1.771 0.02 2 741 80 81 ARG HB3 H 1.965 0.02 2 742 80 81 ARG HG2 H 1.51 0.02 1 743 80 81 ARG HG3 H 1.51 0.02 1 744 80 81 ARG HD2 H 3.008 0.02 2 745 80 81 ARG HD3 H 3.352 0.02 2 746 80 81 ARG C C 173.929 0.4 1 747 80 81 ARG CA C 55.092 0.4 1 748 80 81 ARG CB C 34.086 0.4 1 749 80 81 ARG CG C 27.768 0.4 1 750 80 81 ARG CD C 43.114 0.4 1 751 80 81 ARG N N 122.509 0.1 1 752 81 82 VAL H H 8.697 0.02 1 753 81 82 VAL HA H 4.252 0.02 1 754 81 82 VAL HB H 1.963 0.02 1 755 81 82 VAL HG1 H 0.952 0.02 2 756 81 82 VAL HG2 H 0.945 0.02 2 757 81 82 VAL C C 176.19 0.4 1 758 81 82 VAL CA C 62.501 0.4 1 759 81 82 VAL CB C 32.558 0.4 1 760 81 82 VAL CG1 C 21.919 0.4 2 761 81 82 VAL CG2 C 21.432 0.4 2 762 81 82 VAL N N 126.114 0.1 1 763 82 83 LEU H H 8.835 0.02 1 764 82 83 LEU HA H 4.327 0.02 1 765 82 83 LEU HB2 H 1.654 0.02 1 766 82 83 LEU HB3 H 1.654 0.02 1 767 82 83 LEU HG H 1.838 0.02 1 768 82 83 LEU HD1 H 0.79 0.02 2 769 82 83 LEU HD2 H 1.008 0.02 2 770 82 83 LEU C C 178.557 0.4 1 771 82 83 LEU CA C 57.278 0.4 1 772 82 83 LEU CB C 41.082 0.4 1 773 82 83 LEU CG C 31.629 0.4 1 774 82 83 LEU CD1 C 26.739 0.4 2 775 82 83 LEU CD2 C 24.944 0.4 2 776 82 83 LEU N N 130.859 0.1 1 777 83 84 LEU H H 8.776 0.02 1 778 83 84 LEU HA H 4.363 0.02 1 779 83 84 LEU HB2 H 1.779 0.02 1 780 83 84 LEU HB3 H 1.779 0.02 1 781 83 84 LEU HG H 1.898 0.02 1 782 83 84 LEU HD1 H 0.944 0.02 2 783 83 84 LEU HD2 H 0.978 0.02 2 784 83 84 LEU C C 178.405 0.4 1 785 83 84 LEU CA C 54.98 0.4 1 786 83 84 LEU CB C 41.352 0.4 1 787 83 84 LEU CG C 27.752 0.4 1 788 83 84 LEU CD1 C 22.81 0.4 2 789 83 84 LEU CD2 C 25.26 0.4 2 790 83 84 LEU N N 123.009 0.1 1 791 84 85 ASP H H 8.28 0.02 1 792 84 85 ASP HA H 4.227 0.02 1 793 84 85 ASP HB2 H 2.66 0.02 1 794 84 85 ASP HB3 H 2.66 0.02 1 795 84 85 ASP C C 176.931 0.4 1 796 84 85 ASP CA C 58.164 0.4 1 797 84 85 ASP CB C 40.935 0.4 1 798 84 85 ASP N N 120.405 0.1 1 799 85 86 GLN H H 7.906 0.02 1 800 85 86 GLN HA H 4.523 0.02 1 801 85 86 GLN HB2 H 1.947 0.02 2 802 85 86 GLN HB3 H 2.41 0.02 2 803 85 86 GLN HG2 H 2.405 0.02 1 804 85 86 GLN HG3 H 2.405 0.02 1 805 85 86 GLN C C 175.605 0.4 1 806 85 86 GLN CA C 54.551 0.4 1 807 85 86 GLN CB C 28.085 0.4 1 808 85 86 GLN CG C 34.003 0.4 1 809 85 86 GLN N N 109.972 0.1 1 810 86 87 GLU H H 7.842 0.02 1 811 86 87 GLU HA H 4.100 0.03 1 812 86 87 GLU HB2 H 1.993 0.03 2 813 86 87 GLU HB3 H 2.186 0.03 2 814 86 87 GLU C C 175.782 0.4 1 815 86 87 GLU N N 122.581 0.1 1 816 87 88 CYS H H 8.831 0.02 1 817 87 88 CYS HA H 4.525 0.02 1 818 87 88 CYS HB2 H 2.716 0.02 2 819 87 88 CYS HB3 H 3.21 0.02 2 820 87 88 CYS C C 176.182 0.4 1 821 87 88 CYS CA C 58.468 0.4 1 822 87 88 CYS CB C 26.951 0.4 1 823 87 88 CYS N N 124.002 0.1 1 824 88 89 VAL HA H 3.272 0.02 1 825 88 89 VAL HB H 1.881 0.02 1 826 88 89 VAL HG1 H 0.526 0.02 2 827 88 89 VAL HG2 H 0.638 0.02 2 828 88 89 VAL C C 176.376 0.4 1 829 88 89 VAL CA C 67.492 0.4 1 830 88 89 VAL CB C 31.119 0.4 1 831 88 89 VAL CG1 C 22.278 0.4 2 832 88 89 VAL CG2 C 22.666 0.4 2 833 89 90 PHE H H 10.292 0.02 1 834 89 90 PHE HA H 3.396 0.02 1 835 89 90 PHE HB2 H 2.046 0.02 2 836 89 90 PHE HB3 H 2.568 0.02 2 837 89 90 PHE HD1 H 6.222 0.02 1 838 89 90 PHE HD2 H 6.222 0.02 1 839 89 90 PHE HE1 H 7.103 0.02 1 840 89 90 PHE HE2 H 7.103 0.02 1 841 89 90 PHE C C 178.209 0.4 1 842 89 90 PHE CA C 61.715 0.4 1 843 89 90 PHE CB C 39.747 0.4 1 844 89 90 PHE CD1 C 131.345 0.4 1 845 89 90 PHE CD2 C 131.345 0.4 1 846 89 90 PHE CE1 C 131.27 0.4 1 847 89 90 PHE CE2 C 131.27 0.4 1 848 89 90 PHE N N 123.018 0.1 1 849 90 91 GLN H H 7.073 0.02 1 850 90 91 GLN HA H 3.698 0.02 1 851 90 91 GLN HB2 H 1.995 0.02 2 852 90 91 GLN HB3 H 2.134 0.02 2 853 90 91 GLN HG2 H 2.38 0.02 2 854 90 91 GLN HG3 H 2.484 0.02 2 855 90 91 GLN C C 178.151 0.4 1 856 90 91 GLN CA C 58.004 0.4 1 857 90 91 GLN CB C 28.126 0.4 1 858 90 91 GLN CG C 33.968 0.4 1 859 90 91 GLN N N 117.966 0.1 1 860 91 92 ALA H H 7.707 0.02 1 861 91 92 ALA HA H 4.026 0.02 1 862 91 92 ALA HB H 1.731 0.02 1 863 91 92 ALA C C 180.266 0.4 1 864 91 92 ALA CA C 55.649 0.4 1 865 91 92 ALA CB C 17.07 0.4 1 866 91 92 ALA N N 123.376 0.1 1 867 92 93 GLN H H 8.142 0.02 1 868 92 93 GLN HA H 1.642 0.02 1 869 92 93 GLN HB2 H 1.5 0.02 1 870 92 93 GLN HB3 H 1.5 0.02 1 871 92 93 GLN HG2 H 0.899 0.02 2 872 92 93 GLN HG3 H 1.54 0.02 2 873 92 93 GLN C C 178.349 0.4 1 874 92 93 GLN CA C 57.258 0.4 1 875 92 93 GLN CB C 28.254 0.4 1 876 92 93 GLN CG C 33.003 0.4 1 877 92 93 GLN N N 117.639 0.1 1 878 93 94 SER H H 7.485 0.02 1 879 93 94 SER HA H 3.858 0.02 1 880 93 94 SER HB2 H 3.398 0.02 2 881 93 94 SER HB3 H 3.622 0.02 2 882 93 94 SER C C 174.751 0.4 1 883 93 94 SER CA C 60.757 0.4 1 884 93 94 SER CB C 62.669 0.4 1 885 93 94 SER N N 114.721 0.1 1 886 94 95 LYS H H 6.989 0.02 1 887 94 95 LYS HA H 4.248 0.03 1 888 94 95 LYS HB2 H 1.687 0.03 2 889 94 95 LYS HB3 H 1.994 0.03 2 890 94 95 LYS HG2 H 1.444 0.03 2 891 94 95 LYS HG3 H 1.490 0.03 2 892 94 95 LYS C C 177.218 0.4 1 893 94 95 LYS N N 118.95 0.1 1 894 95 96 TRP H H 7.285 0.02 1 895 95 96 TRP HA H 4.586 0.02 1 896 95 96 TRP HB2 H 3.119 0.02 2 897 95 96 TRP HB3 H 3.35 0.02 2 898 95 96 TRP HD1 H 6.803 0.02 1 899 95 96 TRP HE1 H 9.829 0.02 1 900 95 96 TRP HE3 H 7.568 0.02 1 901 95 96 TRP HZ2 H 5.537 0.02 1 902 95 96 TRP HZ3 H 6.458 0.02 1 903 95 96 TRP HH2 H 6.963 0.02 1 904 95 96 TRP CA C 56.622 0.4 1 905 95 96 TRP CB C 29.685 0.4 1 906 95 96 TRP CD1 C 124.87 0.4 1 907 95 96 TRP CE3 C 120.331 0.4 1 908 95 96 TRP CZ2 C 114.447 0.4 1 909 95 96 TRP CZ3 C 124.344 0.4 1 910 95 96 TRP CH2 C 121.67 0.4 1 911 95 96 TRP N N 121.037 0.1 1 912 95 96 TRP NE1 N 127.817 0.1 1 913 96 97 LYS H H 8.752 0.02 1 914 96 97 LYS HA H 4.462 0.02 1 915 96 97 LYS HB2 H 1.726 0.02 2 916 96 97 LYS HB3 H 1.958 0.02 2 917 96 97 LYS HG2 H 1.47 0.02 2 918 96 97 LYS HG3 H 1.564 0.02 2 919 96 97 LYS HD2 H 1.725 0.02 1 920 96 97 LYS HD3 H 1.725 0.02 1 921 96 97 LYS HE2 H 3.033 0.02 1 922 96 97 LYS HE3 H 3.033 0.02 1 923 96 97 LYS C C 175.964 0.4 1 924 96 97 LYS CA C 55.398 0.4 1 925 96 97 LYS CB C 31.682 0.4 1 926 96 97 LYS CG C 24.803 0.4 1 927 96 97 LYS CD C 28.826 0.4 1 928 96 97 LYS CE C 42.049 0.4 1 929 96 97 LYS N N 123.563 0.1 1 930 97 98 GLY H H 7.415 0.02 1 931 97 98 GLY HA2 H 3.971 0.02 1 932 97 98 GLY HA3 H 3.971 0.02 1 933 97 98 GLY C C 172.433 0.4 1 934 97 98 GLY CA C 44.241 0.4 1 935 97 98 GLY N N 108.179 0.1 1 936 98 99 ALA H H 8.115 0.02 1 937 98 99 ALA HA H 4.384 0.02 1 938 98 99 ALA HB H 1.276 0.02 1 939 98 99 ALA C C 176.985 0.4 1 940 98 99 ALA CA C 52.118 0.4 1 941 98 99 ALA CB C 19.119 0.4 1 942 98 99 ALA N N 124.76 0.1 1 943 99 100 GLY H H 7.61 0.02 1 944 99 100 GLY HA2 H 1.179 0.02 2 945 99 100 GLY HA3 H 4.349 0.02 2 946 99 100 GLY C C 172.5 0.4 1 947 99 100 GLY CA C 43.309 0.4 1 948 99 100 GLY N N 110.951 0.1 1 949 100 101 LYS H H 7.493 0.02 1 950 100 101 LYS HA H 4.547 0.02 1 951 100 101 LYS HB2 H 1.266 0.02 2 952 100 101 LYS HB3 H 1.449 0.02 2 953 100 101 LYS HG2 H 1.011 0.02 1 954 100 101 LYS HG3 H 1.011 0.02 1 955 100 101 LYS HD2 H 0.867 0.02 1 956 100 101 LYS HD3 H 0.867 0.02 1 957 100 101 LYS HE2 H 2.27 0.02 2 958 100 101 LYS HE3 H 2.392 0.02 2 959 100 101 LYS C C 174.075 0.4 1 960 100 101 LYS CA C 54.828 0.4 1 961 100 101 LYS CB C 35.978 0.4 1 962 100 101 LYS CG C 23.591 0.4 1 963 100 101 LYS CD C 28.94 0.4 1 964 100 101 LYS CE C 41.168 0.4 1 965 100 101 LYS N N 115.895 0.1 1 966 101 102 PHE H H 8.799 0.02 1 967 101 102 PHE HA H 6.022 0.02 1 968 101 102 PHE HB2 H 3.098 0.02 2 969 101 102 PHE HB3 H 3.352 0.02 2 970 101 102 PHE HD1 H 7.451 0.02 1 971 101 102 PHE HD2 H 7.451 0.02 1 972 101 102 PHE HE1 H 7.543 0.02 1 973 101 102 PHE HE2 H 7.543 0.02 1 974 101 102 PHE HZ H 7.148 0.02 1 975 101 102 PHE C C 175.927 0.4 1 976 101 102 PHE CA C 56.749 0.4 1 977 101 102 PHE CB C 41.386 0.4 1 978 101 102 PHE CD1 C 131.934 0.4 1 979 101 102 PHE CD2 C 131.934 0.4 1 980 101 102 PHE CE1 C 132.094 0.4 1 981 101 102 PHE CE2 C 132.094 0.4 1 982 101 102 PHE CZ C 130.494 0.4 1 983 101 102 PHE N N 118.352 0.1 1 984 102 103 ILE H H 9.644 0.02 1 985 102 103 ILE HA H 4.619 0.02 1 986 102 103 ILE HB H 1.642 0.02 1 987 102 103 ILE HG12 H 0.892 0.02 2 988 102 103 ILE HG13 H 1.338 0.02 2 989 102 103 ILE HG2 H 0.94 0.02 1 990 102 103 ILE HD1 H 0.695 0.02 1 991 102 103 ILE C C 174.838 0.4 1 992 102 103 ILE CA C 60.193 0.4 1 993 102 103 ILE CB C 43.021 0.4 1 994 102 103 ILE CG1 C 28.032 0.4 1 995 102 103 ILE CG2 C 18.55 0.4 1 996 102 103 ILE CD1 C 15.029 0.4 1 997 102 103 ILE N N 123.792 0.1 1 998 103 104 LEU H H 8.02 0.02 1 999 103 104 LEU HA H 4.932 0.02 1 1000 103 104 LEU HB2 H 1.029 0.02 2 1001 103 104 LEU HB3 H 1.807 0.02 2 1002 103 104 LEU HD1 H 0.623 0.02 2 1003 103 104 LEU HD2 H 0.792 0.02 2 1004 103 104 LEU C C 175.694 0.4 1 1005 103 104 LEU CA C 54.621 0.4 1 1006 103 104 LEU CB C 43.827 0.4 1 1007 103 104 LEU CD1 C 27.334 0.4 2 1008 103 104 LEU CD2 C 25.851 0.4 2 1009 103 104 LEU N N 128.5 0.1 1 1010 104 105 LYS H H 8.957 0.02 1 1011 104 105 LYS HA H 4.82 0.02 1 1012 104 105 LYS HB2 H 1.451 0.02 2 1013 104 105 LYS HB3 H 1.708 0.02 2 1014 104 105 LYS HG2 H 1.402 0.02 1 1015 104 105 LYS HG3 H 1.402 0.02 1 1016 104 105 LYS HD2 H 1.62 0.02 1 1017 104 105 LYS HD3 H 1.62 0.02 1 1018 104 105 LYS HE2 H 2.818 0.02 2 1019 104 105 LYS HE3 H 2.907 0.02 2 1020 104 105 LYS C C 175.18 0.4 1 1021 104 105 LYS CA C 54.156 0.4 1 1022 104 105 LYS CB C 37.238 0.4 1 1023 104 105 LYS CG C 24.744 0.4 1 1024 104 105 LYS CD C 29.101 0.4 1 1025 104 105 LYS CE C 41.769 0.4 1 1026 104 105 LYS N N 126.996 0.1 1 1027 105 106 LEU H H 8.519 0.02 1 1028 105 106 LEU HA H 4.167 0.02 1 1029 105 106 LEU HB2 H 1.396 0.02 2 1030 105 106 LEU HB3 H 1.459 0.02 2 1031 105 106 LEU HG H 1.513 0.02 1 1032 105 106 LEU HD1 H 0.288 0.02 2 1033 105 106 LEU HD2 H 0.723 0.02 2 1034 105 106 LEU C C 178.709 0.4 1 1035 105 106 LEU CA C 55.068 0.4 1 1036 105 106 LEU CB C 42.676 0.4 1 1037 105 106 LEU CG C 27.149 0.4 1 1038 105 106 LEU CD1 C 23.468 0.4 2 1039 105 106 LEU CD2 C 25.239 0.4 2 1040 105 106 LEU N N 123.968 0.1 1 1041 106 107 LYS H H 8.884 0.02 1 1042 106 107 LYS HA H 3.761 0.02 1 1043 106 107 LYS HB2 H 1.543 0.02 2 1044 106 107 LYS HB3 H 1.706 0.02 2 1045 106 107 LYS HG2 H 1.157 0.02 2 1046 106 107 LYS HG3 H 1.368 0.02 2 1047 106 107 LYS HD2 H 1.681 0.02 1 1048 106 107 LYS HD3 H 1.681 0.02 1 1049 106 107 LYS HE2 H 2.903 0.02 1 1050 106 107 LYS HE3 H 2.903 0.02 1 1051 106 107 LYS C C 178.587 0.4 1 1052 106 107 LYS CA C 59.644 0.4 1 1053 106 107 LYS CB C 32.864 0.4 1 1054 106 107 LYS CG C 26.858 0.4 1 1055 106 107 LYS CD C 29.725 0.4 1 1056 106 107 LYS CE C 41.915 0.4 1 1057 106 107 LYS N N 125.458 0.1 1 1058 107 108 GLU H H 8.524 0.02 1 1059 107 108 GLU HA H 4.124 0.02 1 1060 107 108 GLU HB2 H 1.942 0.02 1 1061 107 108 GLU HB3 H 1.942 0.02 1 1062 107 108 GLU HG2 H 2.202 0.02 1 1063 107 108 GLU HG3 H 2.202 0.02 1 1064 107 108 GLU C C 177.227 0.4 1 1065 107 108 GLU CA C 57.764 0.4 1 1066 107 108 GLU CB C 29.816 0.4 1 1067 107 108 GLU CG C 36.249 0.4 1 1068 107 108 GLU N N 117.543 0.1 1 1069 108 109 GLN H H 7.74 0.02 1 1070 108 109 GLN HA H 4.245 0.03 1 1071 108 109 GLN C C 176.811 0.4 1 1072 108 109 GLN N N 117.366 0.1 1 1073 109 110 VAL H H 7.54 0.02 1 1074 109 110 VAL HA H 4.038 0.02 1 1075 109 110 VAL HB H 2.114 0.02 1 1076 109 110 VAL HG1 H 0.883 0.02 2 1077 109 110 VAL HG2 H 0.894 0.02 2 1078 109 110 VAL C C 176.398 0.4 1 1079 109 110 VAL CA C 62.786 0.4 1 1080 109 110 VAL CB C 32.343 0.4 1 1081 109 110 VAL CG1 C 21.218 0.4 2 1082 109 110 VAL CG2 C 21.427 0.4 2 1083 109 110 VAL N N 118.974 0.1 1 1084 110 111 GLN H H 8.218 0.02 1 1085 110 111 GLN HA H 4.225 0.03 1 1086 110 111 GLN HB2 H 1.982 0.03 1 1087 110 111 GLN HB3 H 1.982 0.03 1 1088 110 111 GLN HG2 H 2.314 0.03 1 1089 110 111 GLN HG3 H 2.314 0.03 1 1090 110 111 GLN C C 175.983 0.4 1 1091 110 111 GLN N N 122.947 0.1 1 1092 111 112 ALA H H 8.178 0.02 1 1093 111 112 ALA HA H 4.291 0.02 1 1094 111 112 ALA HB H 1.389 0.02 1 1095 111 112 ALA C C 178.038 0.4 1 1096 111 112 ALA CA C 52.74 0.4 1 1097 111 112 ALA CB C 19.135 0.4 1 1098 111 112 ALA N N 124.864 0.1 1 1099 112 113 SER H H 8.214 0.02 1 1100 112 113 SER HA H 4.423 0.02 1 1101 112 113 SER HB2 H 3.85 0.02 2 1102 112 113 SER HB3 H 3.896 0.02 2 1103 112 113 SER C C 174.726 0.4 1 1104 112 113 SER CA C 58.315 0.4 1 1105 112 113 SER CB C 63.711 0.4 1 1106 112 113 SER N N 115.082 0.1 1 1107 113 114 ARG H H 8.271 0.02 1 1108 113 114 ARG HA H 4.361 0.02 1 1109 113 114 ARG HB2 H 1.771 0.02 2 1110 113 114 ARG HB3 H 1.893 0.02 2 1111 113 114 ARG HG2 H 1.636 0.02 1 1112 113 114 ARG HG3 H 1.636 0.02 1 1113 113 114 ARG HD2 H 3.184 0.02 1 1114 113 114 ARG HD3 H 3.184 0.02 1 1115 113 114 ARG C C 176.312 0.4 1 1116 113 114 ARG CA C 56.122 0.4 1 1117 113 114 ARG CB C 30.939 0.4 1 1118 113 114 ARG CG C 27.023 0.4 1 1119 113 114 ARG CD C 43.28 0.4 1 1120 113 114 ARG N N 123.105 0.1 1 1121 114 115 GLU H H 8.399 0.02 1 1122 114 115 GLU HA H 4.292 0.02 1 1123 114 115 GLU HB2 H 1.907 0.02 2 1124 114 115 GLU HB3 H 2.04 0.02 2 1125 114 115 GLU HG2 H 2.241 0.02 1 1126 114 115 GLU HG3 H 2.241 0.02 1 1127 114 115 GLU C C 176.131 0.4 1 1128 114 115 GLU CA C 56.417 0.4 1 1129 114 115 GLU CB C 30.257 0.4 1 1130 114 115 GLU CG C 36.345 0.4 1 1131 114 115 GLU N N 121.786 0.1 1 1132 115 116 ASP H H 8.381 0.02 1 1133 115 116 ASP HA H 4.604 0.02 1 1134 115 116 ASP HB2 H 2.592 0.02 2 1135 115 116 ASP HB3 H 2.685 0.02 2 1136 115 116 ASP C C 175.125 0.4 1 1137 115 116 ASP CA C 54.256 0.4 1 1138 115 116 ASP CB C 41.002 0.4 1 1139 115 116 ASP N N 122.148 0.1 1 1140 116 117 LYS H H 7.765 0.02 1 1141 116 117 LYS HA H 4.141 0.02 1 1142 116 117 LYS HB2 H 1.687 0.02 2 1143 116 117 LYS HB3 H 1.8 0.02 2 1144 116 117 LYS HG2 H 1.355 0.02 1 1145 116 117 LYS HG3 H 1.355 0.02 1 1146 116 117 LYS HD2 H 1.663 0.02 1 1147 116 117 LYS HD3 H 1.663 0.02 1 1148 116 117 LYS HE2 H 2.973 0.02 1 1149 116 117 LYS HE3 H 2.973 0.02 1 1150 116 117 LYS CA C 57.504 0.4 1 1151 116 117 LYS CB C 33.808 0.4 1 1152 116 117 LYS CG C 24.697 0.4 1 1153 116 117 LYS CD C 28.907 0.4 1 1154 116 117 LYS CE C 41.981 0.4 1 1155 116 117 LYS N N 126.413 0.1 1 stop_ save_