data_5789 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,15N, and 13C chemical shift assignments of the Escherichia coli nitrogen regulatory phosphocarrier IIANtr ; _BMRB_accession_number 5789 _BMRB_flat_file_name bmr5789.str _Entry_type original _Submission_date 2003-04-29 _Accession_date 2003-04-29 _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 Li Xia . . 2 Peterkofsky Alan . . 3 Wang Guangshun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 750 "13C chemical shifts" 653 "15N chemical shifts" 161 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-06-25 original author . stop_ _Original_release_date 2004-06-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H,15N, and 13C Chemical Shift Assignments of the Escherichia coli Nitrogen Regulatory Phosphocarrier IIA(Ntr) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22874491 _PubMed_ID 14512741 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Xia . . 2 Peterkofsky Alan . . 3 Wang Guangshun . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 27 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 401 _Page_last 402 _Year 2003 _Details . loop_ _Keyword IIANtr Escherichia PTS 'nitrogen metobolism' 'sigma factor' stop_ save_ ################################## # Molecular system description # ################################## save_system_IIANtr _Saveframe_category molecular_system _Mol_system_name 'nitrogen regulatory enzyme IIA' _Abbreviation_common IIANtr _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label IIANtr $IIANtr stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'gene regulation' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IIANtr _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'nitrogen regulatory enzyme IIA' _Abbreviation_common IIANtr _Molecular_mass 18000 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 163 _Mol_residue_sequence ; MTNNDTTLQLSSVLNRECTR SRVHCQSKKRALEIISELAA KQLSLPPQVVFEAILTREKM GSTGIGNGIAIPHGKLEEDT LRAVGVFVQLETPIAFDAID NQPVDLLFALLVPADQTKTH LHTLSLVAKRLADKTICRRL RAAQSDEELYQIITDTEGTP DEA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 ASN 4 ASN 5 ASP 6 THR 7 THR 8 LEU 9 GLN 10 LEU 11 SER 12 SER 13 VAL 14 LEU 15 ASN 16 ARG 17 GLU 18 CYS 19 THR 20 ARG 21 SER 22 ARG 23 VAL 24 HIS 25 CYS 26 GLN 27 SER 28 LYS 29 LYS 30 ARG 31 ALA 32 LEU 33 GLU 34 ILE 35 ILE 36 SER 37 GLU 38 LEU 39 ALA 40 ALA 41 LYS 42 GLN 43 LEU 44 SER 45 LEU 46 PRO 47 PRO 48 GLN 49 VAL 50 VAL 51 PHE 52 GLU 53 ALA 54 ILE 55 LEU 56 THR 57 ARG 58 GLU 59 LYS 60 MET 61 GLY 62 SER 63 THR 64 GLY 65 ILE 66 GLY 67 ASN 68 GLY 69 ILE 70 ALA 71 ILE 72 PRO 73 HIS 74 GLY 75 LYS 76 LEU 77 GLU 78 GLU 79 ASP 80 THR 81 LEU 82 ARG 83 ALA 84 VAL 85 GLY 86 VAL 87 PHE 88 VAL 89 GLN 90 LEU 91 GLU 92 THR 93 PRO 94 ILE 95 ALA 96 PHE 97 ASP 98 ALA 99 ILE 100 ASP 101 ASN 102 GLN 103 PRO 104 VAL 105 ASP 106 LEU 107 LEU 108 PHE 109 ALA 110 LEU 111 LEU 112 VAL 113 PRO 114 ALA 115 ASP 116 GLN 117 THR 118 LYS 119 THR 120 HIS 121 LEU 122 HIS 123 THR 124 LEU 125 SER 126 LEU 127 VAL 128 ALA 129 LYS 130 ARG 131 LEU 132 ALA 133 ASP 134 LYS 135 THR 136 ILE 137 CYS 138 ARG 139 ARG 140 LEU 141 ARG 142 ALA 143 ALA 144 GLN 145 SER 146 ASP 147 GLU 148 GLU 149 LEU 150 TYR 151 GLN 152 ILE 153 ILE 154 THR 155 ASP 156 THR 157 GLU 158 GLY 159 THR 160 PRO 161 ASP 162 GLU 163 ALA 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 1A6J "Nitrogen Regulatory Bacterial Protein Iia-Nitrogen" 100.00 163 100.00 100.00 9.11e-114 DBJ BAA02317 "rpoN [Escherichia coli K-12]" 100.00 163 100.00 100.00 9.11e-114 DBJ BAB37506 "phosphotransferase system enzyme IIA [Escherichia coli O157:H7 str. Sakai]" 100.00 163 99.39 100.00 3.69e-113 DBJ BAE77248 "sugar-specific enzyme IIA component of PTS [Escherichia coli str. K-12 substr. W3110]" 100.00 163 100.00 100.00 9.11e-114 DBJ BAG79012 "PTS system IIA component [Escherichia coli SE11]" 100.00 163 100.00 100.00 9.11e-114 DBJ BAI27482 "phosphotransferase system enzyme IIA PtsN, regulates N metabolism [Escherichia coli O26:H11 str. 11368]" 100.00 163 100.00 100.00 9.11e-114 EMBL CAA81619 "unnamed protein product [Escherichia coli K-12]" 100.00 163 100.00 100.00 9.11e-114 EMBL CAP77664 "Nitrogen regulatory protein [Escherichia coli LF82]" 100.00 163 99.39 100.00 4.03e-113 EMBL CAQ33537 "phosphotransferase system enzyme IIA, regulates N metabolism [Escherichia coli BL21(DE3)]" 100.00 163 100.00 100.00 9.11e-114 EMBL CAR00166 "sugar-specific enzyme IIA component of PTS [Escherichia coli IAI1]" 100.00 163 100.00 100.00 9.11e-114 EMBL CAR04814 "sugar-specific enzyme IIA component of PTS [Escherichia coli S88]" 100.00 163 99.39 99.39 9.35e-113 GB AAA58006 "enzyme IIANtr [Escherichia coli str. K-12 substr. MG1655]" 100.00 163 100.00 100.00 9.11e-114 GB AAB60165 "Enzyme IIANtr [Escherichia coli str. K12 substr. W3110]" 100.00 163 100.00 100.00 9.11e-114 GB AAC76236 "sugar-specific enzyme IIA component of PTS [Escherichia coli str. K-12 substr. MG1655]" 100.00 163 100.00 100.00 9.11e-114 GB AAG58338 "phosphotransferase system enzyme IIA, regulates N metabolism [Escherichia coli O157:H7 str. EDL933]" 100.00 163 99.39 100.00 3.69e-113 GB AAN44710 "phosphotransferase system enzyme IIA [Shigella flexneri 2a str. 301]" 100.00 163 100.00 100.00 9.11e-114 REF NP_289778 "PTS system transporter subunit IIA-like nitrogen-regulatory protein PtsN [Escherichia coli O157:H7 str. EDL933]" 100.00 163 99.39 100.00 3.69e-113 REF NP_312110 "PTS system transporter subunit IIA-like nitrogen-regulatory protein PtsN [Escherichia coli O157:H7 str. Sakai]" 100.00 163 99.39 100.00 3.69e-113 REF NP_417671 "sugar-specific enzyme IIA component of PTS [Escherichia coli str. K-12 substr. MG1655]" 100.00 163 100.00 100.00 9.11e-114 REF NP_709003 "PTS system sugar transporter subunit IIA [Shigella flexneri 2a str. 301]" 100.00 163 100.00 100.00 9.11e-114 REF NP_755830 "PTS system transporter subunit IIA-like nitrogen-regulatory protein PtsN [Escherichia coli CFT073]" 100.00 171 99.39 99.39 1.63e-112 SP P69815 "RecName: Full=Nitrogen regulatory protein; AltName: Full=Enzyme IIA-NTR; Includes: RecName: Full=Phosphotransferase enzyme IIA " 100.00 163 100.00 100.00 9.11e-114 SP P69829 "RecName: Full=Nitrogen regulatory protein; AltName: Full=Enzyme IIA-NTR; AltName: Full=PTS system EIIA component; AltName: Full" 100.00 163 100.00 100.00 9.11e-114 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $IIANtr 'E. coli' 562 Eubacteria . Escherichia coli K12 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 $IIANtr 'recombinant technology' 'E. coli' Escherichia coli K12 pRE-His-Tag stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $IIANtr 1.0 mM 0.3 1.5 '[U-95% 13C; U-95% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe_PIPP _Saveframe_category software _Name 'NMRPipe, PIPP' _Version . loop_ _Task 'data processing' 'peak picking' stop_ _Details ; Delaglio et al. (1995) J. Biomol NMR 6, 277-293. Garrett et al. (1991) J. Magn. Reson. 95, 214-220. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_CA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CA(CO)NH _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label . save_ save_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label . save_ save_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_HNHB_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label . save_ save_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_3D_15N-separated_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.3 0.1 pH temperature 308 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name IIANtr _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 MET HA H 4.50 0.01 1 2 . 1 MET HG2 H 2.47 0.01 2 3 . 1 MET C C 176.12 0.05 1 4 . 1 MET CA C 55.68 0.05 1 5 . 1 MET CB C 33.05 0.05 1 6 . 1 MET CG C 32.02 0.05 1 7 . 2 THR HA H 4.49 0.01 1 8 . 2 THR HB H 4.23 0.01 1 9 . 2 THR HG2 H 1.15 0.01 1 10 . 2 THR H H 8.15 0.01 1 11 . 2 THR CA C 61.61 0.05 1 12 . 2 THR CB C 69.90 0.05 1 13 . 2 THR N N 114.67 0.05 1 14 . 3 ASN HD21 H 7.55 0.01 1 15 . 3 ASN HD22 H 6.85 0.01 1 16 . 3 ASN H H 8.03 0.01 1 17 . 3 ASN C C 176.55 0.05 1 18 . 3 ASN CA C 54.86 0.05 1 19 . 3 ASN CB C 38.88 0.05 1 20 . 3 ASN CG C 178.19 0.05 1 21 . 3 ASN N N 126.08 0.05 1 22 . 3 ASN ND2 N 112.16 0.05 1 23 . 4 ASN HA H 4.69 0.01 1 24 . 4 ASN HB2 H 2.77 0.01 2 25 . 4 ASN HD21 H 7.53 0.01 1 26 . 4 ASN HD22 H 6.85 0.01 1 27 . 4 ASN H H 8.34 0.01 1 28 . 4 ASN CA C 53.45 0.05 1 29 . 4 ASN CB C 39.05 0.05 1 30 . 4 ASN CG C 177.01 0.05 1 31 . 4 ASN N N 119.62 0.05 1 32 . 4 ASN ND2 N 112.12 0.05 1 33 . 5 ASP HA H 4.18 0.01 1 34 . 5 ASP HB2 H 2.68 0.01 2 35 . 5 ASP H H 8.28 0.01 1 36 . 5 ASP C C 176.84 0.05 1 37 . 5 ASP CA C 54.93 0.05 1 38 . 5 ASP CB C 41.17 0.05 1 39 . 5 ASP N N 120.61 0.05 1 40 . 6 THR HA H 4.31 0.01 1 41 . 6 THR HB H 4.26 0.01 1 42 . 6 THR HG2 H 1.15 0.01 1 43 . 6 THR H H 8.10 0.01 1 44 . 6 THR C C 174.98 0.05 1 45 . 6 THR CA C 62.64 0.05 1 46 . 6 THR CB C 69.36 0.05 1 47 . 6 THR CG2 C 21.62 0.05 1 48 . 6 THR N N 113.94 0.05 1 49 . 7 THR HA H 4.37 0.01 1 50 . 7 THR HB H 4.14 0.01 1 51 . 7 THR HG2 H 1.17 0.01 1 52 . 7 THR H H 8.05 0.01 1 53 . 7 THR C C 174.57 0.05 1 54 . 7 THR CA C 62.83 0.05 1 55 . 7 THR CB C 69.58 0.05 1 56 . 7 THR CG2 C 21.66 0.05 1 57 . 7 THR N N 116.68 0.05 1 58 . 8 LEU HA H 4.28 0.01 1 59 . 8 LEU HB2 H 1.56 0.01 2 60 . 8 LEU HD2 H 0.80 0.01 2 61 . 8 LEU HG H 1.63 0.01 1 62 . 8 LEU H H 8.13 0.01 1 63 . 8 LEU C C 176.62 0.05 1 64 . 8 LEU CA C 55.49 0.05 1 65 . 8 LEU CB C 42.66 0.05 1 66 . 8 LEU CD1 C 24.71 0.05 1 67 . 8 LEU CG C 27.41 0.05 1 68 . 8 LEU N N 124.74 0.05 1 69 . 9 GLN HA H 4.51 0.01 1 70 . 9 GLN HB2 H 2.19 0.01 2 71 . 9 GLN HE21 H 7.75 0.01 1 72 . 9 GLN HE22 H 6.71 0.01 1 73 . 9 GLN HG2 H 2.37 0.01 1 74 . 9 GLN HG3 H 2.37 0.01 1 75 . 9 GLN H H 8.44 0.01 1 76 . 9 GLN C C 177.70 0.05 1 77 . 9 GLN CA C 54.99 0.05 1 78 . 9 GLN CB C 29.11 0.05 1 79 . 9 GLN CD C 180.06 0.05 1 80 . 9 GLN CG C 33.66 0.05 1 81 . 9 GLN N N 122.87 0.05 1 82 . 9 GLN NE2 N 111.80 0.05 1 83 . 10 LEU HA H 4.04 0.01 1 84 . 10 LEU HB2 H 1.58 0.01 2 85 . 10 LEU HB3 H 1.37 0.01 2 86 . 10 LEU HD2 H 0.62 0.01 2 87 . 10 LEU H H 8.93 0.01 1 88 . 10 LEU C C 178.43 0.05 1 89 . 10 LEU CA C 57.72 0.05 1 90 . 10 LEU CB C 41.96 0.05 1 91 . 10 LEU CD1 C 24.50 0.05 1 92 . 10 LEU CG C 27.24 0.05 1 93 . 10 LEU N N 124.73 0.05 1 94 . 11 SER HA H 4.50 0.01 1 95 . 11 SER HB2 H 4.20 0.01 2 96 . 11 SER HB3 H 3.92 0.01 2 97 . 11 SER H H 8.68 0.01 1 98 . 11 SER C C 174.89 0.05 1 99 . 11 SER CA C 60.64 0.05 1 100 . 11 SER CB C 62.57 0.05 1 101 . 11 SER N N 113.64 0.05 1 102 . 12 SER HA H 4.44 0.01 1 103 . 12 SER HB2 H 4.07 0.01 2 104 . 12 SER H H 7.82 0.01 1 105 . 12 SER C C 175.15 0.05 1 106 . 12 SER CA C 60.63 0.05 1 107 . 12 SER CB C 63.73 0.05 1 108 . 12 SER N N 115.57 0.05 1 109 . 13 VAL HA H 4.60 0.01 1 110 . 13 VAL HB H 2.12 0.01 1 111 . 13 VAL HG1 H 1.17 0.01 2 112 . 13 VAL HG2 H 0.92 0.01 2 113 . 13 VAL H H 7.47 0.01 1 114 . 13 VAL C C 173.63 0.05 1 115 . 13 VAL CA C 61.57 0.05 1 116 . 13 VAL CB C 33.85 0.05 1 117 . 13 VAL CG1 C 21.62 0.05 1 118 . 13 VAL CG2 C 19.55 0.05 1 119 . 13 VAL N N 113.23 0.05 1 120 . 14 LEU HA H 5.07 0.01 1 121 . 14 LEU HB2 H 1.87 0.01 2 122 . 14 LEU HB3 H 1.51 0.01 2 123 . 14 LEU HD1 H 0.99 0.01 2 124 . 14 LEU HD2 H 0.76 0.01 2 125 . 14 LEU H H 8.11 0.01 1 126 . 14 LEU C C 173.71 0.05 1 127 . 14 LEU CA C 53.77 0.05 1 128 . 14 LEU CB C 45.79 0.05 1 129 . 14 LEU CD1 C 26.69 0.05 1 130 . 14 LEU CD2 C 23.22 0.05 1 131 . 14 LEU CG C 28.30 0.05 1 132 . 14 LEU N N 124.54 0.05 1 133 . 15 ASN HA H 5.06 0.01 1 134 . 15 ASN HB2 H 3.18 0.01 2 135 . 15 ASN HB3 H 2.94 0.01 2 136 . 15 ASN HD21 H 7.39 0.01 1 137 . 15 ASN HD22 H 6.37 0.01 1 138 . 15 ASN H H 8.44 0.01 1 139 . 15 ASN C C 176.76 0.05 1 140 . 15 ASN CA C 50.69 0.05 1 141 . 15 ASN CB C 40.54 0.05 1 142 . 15 ASN N N 124.20 0.05 1 143 . 15 ASN ND2 N 109.10 0.05 1 144 . 16 ARG HA H 3.39 0.01 1 145 . 16 ARG HB2 H 1.52 0.01 2 146 . 16 ARG HB3 H 1.26 0.01 2 147 . 16 ARG HD2 H 2.87 0.01 2 148 . 16 ARG HG2 H 0.75 0.01 2 149 . 16 ARG H H 8.43 0.01 1 150 . 16 ARG C C 179.47 0.05 1 151 . 16 ARG CA C 59.64 0.05 1 152 . 16 ARG CB C 29.76 0.05 1 153 . 16 ARG CD C 42.43 0.05 1 154 . 16 ARG CG C 28.17 0.05 1 155 . 16 ARG N N 122.33 0.05 1 156 . 17 GLU HA H 4.11 0.01 1 157 . 17 GLU HB2 H 2.05 0.01 2 158 . 17 GLU HG2 H 2.35 0.01 2 159 . 17 GLU H H 8.63 0.01 1 160 . 17 GLU C C 177.29 0.05 1 161 . 17 GLU CA C 59.16 0.05 1 162 . 17 GLU CB C 29.32 0.05 1 163 . 17 GLU CG C 37.14 0.05 1 164 . 17 GLU N N 118.69 0.05 1 165 . 18 CYS HA H 4.57 0.01 1 166 . 18 CYS HB2 H 3.69 0.01 2 167 . 18 CYS HB3 H 3.10 0.01 2 168 . 18 CYS H H 7.39 0.01 1 169 . 18 CYS C C 171.39 0.05 1 170 . 18 CYS CA C 59.02 0.05 1 171 . 18 CYS CB C 29.83 0.05 1 172 . 18 CYS N N 113.95 0.05 1 173 . 19 THR HA H 5.63 0.01 1 174 . 19 THR HB H 4.27 0.01 1 175 . 19 THR HG2 H 1.36 0.01 1 176 . 19 THR H H 7.47 0.01 1 177 . 19 THR C C 174.15 0.05 1 178 . 19 THR CA C 62.52 0.05 1 179 . 19 THR CB C 69.09 0.05 1 180 . 19 THR CG2 C 22.01 0.05 1 181 . 19 THR N N 117.65 0.05 1 182 . 20 ARG HA H 4.76 0.01 1 183 . 20 ARG HB2 H 1.70 0.01 2 184 . 20 ARG HB3 H 1.52 0.01 2 185 . 20 ARG HG2 H 1.25 0.01 2 186 . 20 ARG H H 8.56 0.01 1 187 . 20 ARG C C 172.91 0.05 1 188 . 20 ARG CA C 52.81 0.05 1 189 . 20 ARG CB C 34.50 0.05 1 190 . 20 ARG CD C 42.52 0.05 1 191 . 20 ARG CG C 26.52 0.05 1 192 . 20 ARG N N 122.84 0.05 1 193 . 21 SER HA H 4.75 0.01 1 194 . 21 SER HB2 H 3.33 0.01 2 195 . 21 SER HB3 H 3.58 0.01 2 196 . 21 SER H H 8.93 0.01 1 197 . 21 SER C C 172.87 0.05 1 198 . 21 SER CA C 56.75 0.05 1 199 . 21 SER CB C 67.66 0.05 1 200 . 21 SER N N 117.49 0.05 1 201 . 22 ARG HA H 3.31 0.01 1 202 . 22 ARG HB2 H 1.94 0.01 2 203 . 22 ARG HB3 H 1.73 0.01 2 204 . 22 ARG HG2 H 1.67 0.01 2 205 . 22 ARG H H 9.02 0.01 1 206 . 22 ARG C C 175.33 0.05 1 207 . 22 ARG CA C 56.53 0.05 1 208 . 22 ARG CB C 27.52 0.05 1 209 . 22 ARG CD C 43.45 0.05 1 210 . 22 ARG CG C 25.70 0.05 1 211 . 22 ARG N N 119.52 0.05 1 212 . 23 VAL HA H 3.80 0.01 1 213 . 23 VAL HB H 1.95 0.01 1 214 . 23 VAL HG1 H 0.80 0.01 2 215 . 23 VAL H H 8.67 0.01 1 216 . 23 VAL CA C 63.91 0.05 1 217 . 23 VAL CB C 32.42 0.05 1 218 . 23 VAL N N 119.75 0.05 1 219 . 24 HIS HA H 3.10 0.01 1 220 . 24 HIS HB2 H 1.82 0.01 2 221 . 24 HIS CA C 53.23 0.05 1 222 . 24 HIS CB C 28.96 0.05 1 223 . 25 CYS HB2 H 3.11 0.01 2 224 . 25 CYS H H 7.28 0.01 1 225 . 25 CYS C C 174.35 0.05 1 226 . 25 CYS CA C 56.09 0.05 1 227 . 25 CYS CB C 29.54 0.05 1 228 . 25 CYS N N 119.04 0.05 1 229 . 26 GLN HA H 4.32 0.01 1 230 . 26 GLN H H 8.35 0.01 1 231 . 26 GLN CA C 58.95 0.05 1 232 . 26 GLN CB C 29.57 0.05 1 233 . 26 GLN N N 124.37 0.05 1 234 . 27 SER HA H 4.28 0.01 1 235 . 27 SER HB2 H 3.98 0.01 2 236 . 27 SER C C 175.40 0.05 1 237 . 27 SER CA C 62.77 0.05 1 238 . 27 SER CB C 62.88 0.05 1 239 . 28 LYS HA H 3.81 0.01 1 240 . 28 LYS HB2 H 2.24 0.01 2 241 . 28 LYS HB3 H 2.07 0.01 2 242 . 28 LYS HG2 H 1.80 0.01 1 243 . 28 LYS HG3 H 1.80 0.01 1 244 . 28 LYS H H 8.31 0.01 1 245 . 28 LYS C C 176.63 0.05 1 246 . 28 LYS CA C 60.12 0.05 1 247 . 28 LYS CB C 30.91 0.05 1 248 . 28 LYS CG C 25.09 0.05 1 249 . 28 LYS N N 122.60 0.05 1 250 . 29 LYS HA H 3.81 0.01 1 251 . 29 LYS HB2 H 1.91 0.01 2 252 . 29 LYS HE2 H 2.91 0.01 1 253 . 29 LYS HE3 H 2.91 0.01 1 254 . 29 LYS HG2 H 1.65 0.01 2 255 . 29 LYS H H 8.46 0.01 1 256 . 29 LYS C C 178.04 0.05 1 257 . 29 LYS CA C 60.71 0.05 1 258 . 29 LYS CB C 32.60 0.05 1 259 . 29 LYS CD C 29.70 0.05 1 260 . 29 LYS CE C 42.32 0.05 1 261 . 29 LYS CG C 25.37 0.05 1 262 . 29 LYS N N 118.57 0.05 1 263 . 30 ARG HA H 4.25 0.01 1 264 . 30 ARG HB2 H 2.08 0.01 2 265 . 30 ARG HG2 H 1.64 0.01 2 266 . 30 ARG H H 7.63 0.01 1 267 . 30 ARG C C 177.86 0.05 1 268 . 30 ARG CA C 56.96 0.05 1 269 . 30 ARG CB C 29.00 0.05 1 270 . 30 ARG CD C 42.56 0.05 1 271 . 30 ARG CG C 26.91 0.05 1 272 . 30 ARG N N 116.78 0.05 1 273 . 31 ALA HA H 4.01 0.01 1 274 . 31 ALA HB H 1.52 0.01 1 275 . 31 ALA H H 8.13 0.01 1 276 . 31 ALA C C 179.33 0.05 1 277 . 31 ALA CA C 56.00 0.05 1 278 . 31 ALA CB C 17.77 0.05 1 279 . 31 ALA N N 122.98 0.05 1 280 . 32 LEU HA H 4.04 0.01 1 281 . 32 LEU HB2 H 1.33 0.01 2 282 . 32 LEU HB3 H 2.22 0.01 2 283 . 32 LEU HD1 H 0.74 0.01 1 284 . 32 LEU HD2 H 0.64 0.01 1 285 . 32 LEU H H 8.16 0.01 1 286 . 32 LEU C C 180.38 0.05 1 287 . 32 LEU CA C 57.95 0.05 1 288 . 32 LEU CB C 40.69 0.05 1 289 . 32 LEU CD1 C 25.17 0.05 1 290 . 32 LEU CD2 C 21.23 0.05 1 291 . 32 LEU CG C 26.70 0.05 1 292 . 32 LEU N N 114.89 0.05 1 293 . 33 GLU HA H 3.85 0.01 1 294 . 33 GLU HB2 H 2.37 0.01 2 295 . 33 GLU HB3 H 1.93 0.01 2 296 . 33 GLU HG2 H 1.65 0.01 2 297 . 33 GLU H H 8.64 0.01 1 298 . 33 GLU C C 179.11 0.05 1 299 . 33 GLU CA C 60.26 0.05 1 300 . 33 GLU CB C 30.36 0.05 1 301 . 33 GLU CG C 36.93 0.05 1 302 . 33 GLU N N 124.24 0.05 1 303 . 34 ILE HA H 3.67 0.01 1 304 . 34 ILE HB H 1.93 0.01 1 305 . 34 ILE HD1 H 0.83 0.01 1 306 . 34 ILE HG2 H 1.08 0.01 1 307 . 34 ILE H H 8.73 0.01 1 308 . 34 ILE C C 178.73 0.05 1 309 . 34 ILE CA C 65.78 0.05 1 310 . 34 ILE CB C 38.56 0.05 1 311 . 34 ILE CD1 C 15.39 0.05 1 312 . 34 ILE CG1 C 29.23 0.05 1 313 . 34 ILE CG2 C 15.82 0.05 1 314 . 34 ILE N N 122.55 0.05 1 315 . 35 ILE HA H 3.52 0.01 1 316 . 35 ILE HB H 1.83 0.01 1 317 . 35 ILE HD1 H 0.61 0.01 1 318 . 35 ILE HG12 H 1.87 0.01 1 319 . 35 ILE HG13 H 1.87 0.01 1 320 . 35 ILE HG2 H 0.93 0.01 1 321 . 35 ILE H H 7.98 0.01 1 322 . 35 ILE C C 177.31 0.05 1 323 . 35 ILE CA C 65.53 0.05 1 324 . 35 ILE CB C 38.25 0.05 1 325 . 35 ILE CD1 C 16.56 0.05 1 326 . 35 ILE CG1 C 29.73 0.05 1 327 . 35 ILE CG2 C 17.13 0.05 1 328 . 35 ILE N N 118.14 0.05 1 329 . 36 SER HA H 4.05 0.01 1 330 . 36 SER HB2 H 4.26 0.01 2 331 . 36 SER HB3 H 3.93 0.01 2 332 . 36 SER H H 8.08 0.01 1 333 . 36 SER CA C 62.88 0.05 1 334 . 36 SER CB C 69.73 0.05 1 335 . 36 SER N N 115.60 0.05 1 336 . 37 GLU HA H 3.86 0.01 1 337 . 37 GLU HB2 H 2.19 0.01 1 338 . 37 GLU HB3 H 2.19 0.01 1 339 . 37 GLU HG2 H 2.46 0.01 1 340 . 37 GLU HG3 H 2.46 0.01 1 341 . 37 GLU C C 179.54 0.05 1 342 . 37 GLU CA C 59.80 0.05 1 343 . 37 GLU CB C 29.76 0.05 1 344 . 37 GLU CG C 36.36 0.05 1 345 . 38 LEU HA H 4.12 0.01 1 346 . 38 LEU HB2 H 2.02 0.01 2 347 . 38 LEU HB3 H 1.47 0.01 2 348 . 38 LEU HD1 H 0.96 0.01 2 349 . 38 LEU HD2 H 0.67 0.01 2 350 . 38 LEU H H 7.78 0.01 1 351 . 38 LEU C C 179.40 0.05 1 352 . 38 LEU CA C 57.93 0.05 1 353 . 38 LEU CB C 42.13 0.05 1 354 . 38 LEU CD1 C 23.01 0.05 1 355 . 38 LEU CD2 C 26.05 0.05 1 356 . 38 LEU CG C 27.29 0.05 1 357 . 38 LEU N N 119.46 0.05 1 358 . 39 ALA HA H 3.90 0.01 1 359 . 39 ALA HB H 1.29 0.01 1 360 . 39 ALA H H 8.26 0.01 1 361 . 39 ALA C C 179.48 0.05 1 362 . 39 ALA CA C 54.93 0.05 1 363 . 39 ALA CB C 18.63 0.05 1 364 . 39 ALA N N 119.46 0.05 1 365 . 40 ALA HA H 3.74 0.01 1 366 . 40 ALA HB H 1.62 0.01 1 367 . 40 ALA H H 8.70 0.01 1 368 . 40 ALA C C 179.63 0.05 1 369 . 40 ALA CA C 56.18 0.05 1 370 . 40 ALA CB C 18.35 0.05 1 371 . 40 ALA N N 118.86 0.05 1 372 . 41 LYS HA H 4.17 0.01 1 373 . 41 LYS HB2 H 1.99 0.01 1 374 . 41 LYS HB3 H 1.99 0.01 1 375 . 41 LYS HD2 H 1.54 0.01 1 376 . 41 LYS HD3 H 1.54 0.01 1 377 . 41 LYS HE2 H 2.98 0.01 1 378 . 41 LYS HE3 H 2.98 0.01 1 379 . 41 LYS HG2 H 1.74 0.01 1 380 . 41 LYS HG3 H 1.74 0.01 1 381 . 41 LYS H H 7.31 0.01 1 382 . 41 LYS C C 179.38 0.05 1 383 . 41 LYS CA C 58.89 0.05 1 384 . 41 LYS CB C 32.26 0.05 1 385 . 41 LYS CD C 29.11 0.05 1 386 . 41 LYS CE C 42.20 0.05 1 387 . 41 LYS CG C 25.05 0.05 1 388 . 41 LYS N N 115.66 0.05 1 389 . 42 GLN HA H 4.10 0.01 1 390 . 42 GLN HB2 H 2.24 0.01 1 391 . 42 GLN HB3 H 2.24 0.01 1 392 . 42 GLN HE21 H 7.76 0.01 1 393 . 42 GLN HE22 H 7.34 0.01 1 394 . 42 GLN HG2 H 2.40 0.01 1 395 . 42 GLN HG3 H 2.40 0.01 1 396 . 42 GLN H H 7.15 0.01 1 397 . 42 GLN C C 177.38 0.05 1 398 . 42 GLN CA C 56.84 0.05 1 399 . 42 GLN CB C 28.95 0.05 1 400 . 42 GLN CD C 178.78 0.05 1 401 . 42 GLN CG C 34.05 0.05 1 402 . 42 GLN N N 115.62 0.05 1 403 . 42 GLN NE2 N 115.65 0.05 1 404 . 43 LEU HA H 4.30 0.01 1 405 . 43 LEU HB2 H 1.62 0.01 2 406 . 43 LEU HB3 H 1.50 0.01 2 407 . 43 LEU HD1 H 0.94 0.01 1 408 . 43 LEU HD2 H 0.68 0.01 1 409 . 43 LEU H H 7.57 0.01 1 410 . 43 LEU C C 175.57 0.05 1 411 . 43 LEU CA C 54.76 0.05 1 412 . 43 LEU CB C 44.26 0.05 1 413 . 43 LEU CD2 C 23.07 0.05 1 414 . 43 LEU CG C 26.56 0.05 1 415 . 43 LEU N N 116.73 0.05 1 416 . 44 SER HA H 4.01 0.01 1 417 . 44 SER HB2 H 4.14 0.01 2 418 . 44 SER HB3 H 4.01 0.01 2 419 . 44 SER H H 7.85 0.01 1 420 . 44 SER C C 173.63 0.05 1 421 . 44 SER CA C 58.88 0.05 1 422 . 44 SER CB C 61.61 0.05 1 423 . 44 SER N N 113.22 0.05 1 424 . 45 LEU HA H 4.98 0.01 1 425 . 45 LEU HB2 H 1.32 0.01 2 426 . 45 LEU HB3 H 1.08 0.01 2 427 . 45 LEU HD1 H 0.99 0.01 2 428 . 45 LEU HD2 H 0.80 0.01 2 429 . 45 LEU HG H 1.63 0.01 1 430 . 45 LEU H H 7.59 0.01 1 431 . 45 LEU CA C 51.26 0.05 1 432 . 45 LEU CB C 45.54 0.05 1 433 . 45 LEU N N 118.30 0.05 1 434 . 47 PRO HA H 3.95 0.01 1 435 . 47 PRO HB2 H 2.24 0.01 1 436 . 47 PRO HB3 H 2.24 0.01 1 437 . 47 PRO HD2 H 3.95 0.01 1 438 . 47 PRO HD3 H 3.95 0.01 1 439 . 47 PRO HG2 H 2.02 0.01 1 440 . 47 PRO HG3 H 2.02 0.01 1 441 . 47 PRO C C 177.90 0.05 1 442 . 47 PRO CA C 65.68 0.05 1 443 . 47 PRO CB C 31.72 0.05 1 444 . 47 PRO CD C 50.68 0.05 1 445 . 47 PRO CG C 27.79 0.05 1 446 . 48 GLN HA H 4.13 0.01 1 447 . 48 GLN HB2 H 2.19 0.01 2 448 . 48 GLN HB3 H 2.02 0.01 2 449 . 48 GLN HE21 H 7.72 0.01 1 450 . 48 GLN HE22 H 6.76 0.01 1 451 . 48 GLN HG2 H 2.48 0.01 2 452 . 48 GLN HG3 H 2.24 0.01 2 453 . 48 GLN H H 8.84 0.01 1 454 . 48 GLN C C 178.20 0.05 1 455 . 48 GLN CA C 59.43 0.05 1 456 . 48 GLN CB C 27.92 0.05 1 457 . 48 GLN CD C 180.46 0.05 1 458 . 48 GLN CG C 33.43 0.05 1 459 . 48 GLN N N 115.31 0.05 1 460 . 48 GLN NE2 N 111.53 0.05 1 461 . 49 VAL HA H 3.85 0.01 1 462 . 49 VAL HB H 2.21 0.01 1 463 . 49 VAL HG1 H 1.15 0.01 2 464 . 49 VAL HG2 H 1.03 0.01 2 465 . 49 VAL H H 7.30 0.01 1 466 . 49 VAL C C 178.63 0.05 1 467 . 49 VAL CA C 65.61 0.05 1 468 . 49 VAL CB C 32.34 0.05 1 469 . 49 VAL CG1 C 22.59 0.05 1 470 . 49 VAL CG2 C 21.00 0.05 1 471 . 49 VAL N N 118.27 0.05 1 472 . 50 VAL HA H 3.44 0.01 1 473 . 50 VAL HB H 2.25 0.01 1 474 . 50 VAL HG1 H 1.04 0.01 2 475 . 50 VAL HG2 H 0.83 0.01 2 476 . 50 VAL H H 6.85 0.01 1 477 . 50 VAL C C 176.49 0.05 1 478 . 50 VAL CA C 66.55 0.05 1 479 . 50 VAL CB C 31.76 0.05 1 480 . 50 VAL CG1 C 23.04 0.05 2 481 . 50 VAL N N 120.51 0.05 1 482 . 51 PHE HA H 4.20 0.01 1 483 . 51 PHE HB2 H 3.21 0.01 2 484 . 51 PHE HB3 H 3.04 0.01 2 485 . 51 PHE H H 8.81 0.01 1 486 . 51 PHE C C 177.12 0.05 1 487 . 51 PHE CA C 61.55 0.05 1 488 . 51 PHE CB C 39.56 0.05 1 489 . 51 PHE CD1 C 129.42 0.05 1 490 . 51 PHE CE1 C 129.42 0.05 1 491 . 51 PHE CZ C 126.92 0.05 1 492 . 51 PHE N N 120.99 0.05 1 493 . 51 PHE HD1 H 7.01 0.01 1 494 . 51 PHE HE1 H 7.37 0.01 1 495 . 51 PHE HZ H 7.17 0.01 1 496 . 52 GLU HA H 3.85 0.01 1 497 . 52 GLU HB2 H 2.09 0.01 2 498 . 52 GLU HB3 H 1.84 0.01 2 499 . 52 GLU HG2 H 2.46 0.01 2 500 . 52 GLU HG3 H 2.12 0.01 2 501 . 52 GLU H H 8.25 0.01 1 502 . 52 GLU C C 179.31 0.05 1 503 . 52 GLU CA C 59.35 0.05 1 504 . 52 GLU CB C 29.19 0.05 1 505 . 52 GLU CG C 36.49 0.05 1 506 . 52 GLU N N 116.92 0.05 1 507 . 53 ALA HA H 4.27 0.01 1 508 . 53 ALA HB H 1.48 0.01 1 509 . 53 ALA H H 7.47 0.01 1 510 . 53 ALA C C 180.90 0.05 1 511 . 53 ALA CA C 55.65 0.05 1 512 . 53 ALA CB C 18.03 0.05 1 513 . 53 ALA N N 123.15 0.05 1 514 . 54 ILE HA H 4.10 0.01 1 515 . 54 ILE HB H 1.81 0.01 1 516 . 54 ILE HD1 H 0.65 0.01 1 517 . 54 ILE HG12 H 1.61 0.01 2 518 . 54 ILE HG2 H 0.83 0.01 1 519 . 54 ILE H H 7.86 0.01 1 520 . 54 ILE C C 179.03 0.05 1 521 . 54 ILE CA C 63.80 0.05 1 522 . 54 ILE CB C 37.91 0.05 1 523 . 54 ILE CD1 C 13.19 0.05 1 524 . 54 ILE CG1 C 28.58 0.05 1 525 . 54 ILE CG2 C 18.52 0.05 1 526 . 54 ILE N N 119.44 0.05 1 527 . 55 LEU HA H 3.72 0.01 1 528 . 55 LEU HB2 H 1.45 0.01 2 529 . 55 LEU HB3 H 1.03 0.01 2 530 . 55 LEU HD1 H 0.69 0.01 2 531 . 55 LEU HD2 H 0.53 0.01 2 532 . 55 LEU H H 8.83 0.01 1 533 . 55 LEU C C 178.70 0.05 1 534 . 55 LEU CA C 57.53 0.05 1 535 . 55 LEU CB C 41.30 0.05 1 536 . 55 LEU CD1 C 24.53 0.05 1 537 . 55 LEU CD2 C 23.24 0.05 1 538 . 55 LEU CG C 26.66 0.05 1 539 . 55 LEU N N 123.29 0.05 1 540 . 56 THR HA H 3.73 0.01 1 541 . 56 THR HB H 4.32 0.01 1 542 . 56 THR HG2 H 1.24 0.01 1 543 . 56 THR H H 8.25 0.01 1 544 . 56 THR C C 176.07 0.05 1 545 . 56 THR CA C 67.42 0.05 1 546 . 56 THR CB C 68.94 0.05 1 547 . 56 THR CG2 C 21.07 0.05 1 548 . 56 THR N N 116.12 0.05 1 549 . 57 ARG HA H 4.42 0.01 1 550 . 57 ARG HB2 H 1.75 0.01 1 551 . 57 ARG HB3 H 1.75 0.01 1 552 . 57 ARG HD2 H 2.51 0.01 2 553 . 57 ARG HG2 H 1.19 0.01 2 554 . 57 ARG HG3 H 0.86 0.01 2 555 . 57 ARG H H 6.90 0.01 1 556 . 57 ARG C C 180.06 0.05 1 557 . 57 ARG CA C 57.30 0.05 1 558 . 57 ARG CB C 29.15 0.05 1 559 . 57 ARG CG C 26.24 0.05 1 560 . 57 ARG N N 119.94 0.05 1 561 . 58 GLU HA H 3.98 0.01 1 562 . 58 GLU HB2 H 2.05 0.01 2 563 . 58 GLU H H 8.63 0.01 1 564 . 58 GLU C C 176.18 0.05 1 565 . 58 GLU CA C 58.32 0.05 1 566 . 58 GLU CB C 29.65 0.05 1 567 . 58 GLU CG C 35.30 0.05 1 568 . 58 GLU N N 125.74 0.05 1 569 . 59 LYS HA H 4.63 0.01 1 570 . 59 LYS H H 8.25 0.01 1 571 . 59 LYS C C 178.34 0.05 1 572 . 59 LYS CA C 58.72 0.05 1 573 . 59 LYS CB C 32.67 0.05 1 574 . 59 LYS CD C 29.65 0.05 1 575 . 59 LYS CE C 41.94 0.05 1 576 . 59 LYS CG C 25.80 0.05 1 577 . 59 LYS N N 116.68 0.05 1 578 . 60 MET HA H 4.33 0.01 1 579 . 60 MET HB2 H 2.28 0.01 2 580 . 60 MET HG2 H 2.86 0.01 2 581 . 60 MET HG3 H 2.63 0.01 2 582 . 60 MET H H 7.57 0.01 1 583 . 60 MET C C 176.73 0.05 1 584 . 60 MET CA C 56.54 0.05 1 585 . 60 MET CB C 32.60 0.05 1 586 . 60 MET CG C 32.05 0.05 1 587 . 60 MET N N 116.90 0.05 1 588 . 61 GLY HA2 H 4.18 0.01 2 589 . 61 GLY HA3 H 3.65 0.01 2 590 . 61 GLY H H 7.24 0.01 1 591 . 61 GLY C C 171.44 0.05 1 592 . 61 GLY CA C 45.61 0.05 1 593 . 61 GLY N N 109.24 0.05 1 594 . 62 SER HA H 4.74 0.01 1 595 . 62 SER HB2 H 4.15 0.01 2 596 . 62 SER HB3 H 3.90 0.01 2 597 . 62 SER H H 8.33 0.01 1 598 . 62 SER C C 178.18 0.05 1 599 . 62 SER CA C 57.69 0.05 1 600 . 62 SER CB C 64.58 0.05 1 601 . 62 SER N N 116.65 0.05 1 602 . 63 THR HA H 4.34 0.01 1 603 . 63 THR HB H 4.55 0.01 1 604 . 63 THR HG2 H 1.33 0.01 1 605 . 63 THR H H 9.82 0.01 1 606 . 63 THR C C 176.29 0.05 1 607 . 63 THR CA C 63.16 0.05 1 608 . 63 THR CB C 68.42 0.05 1 609 . 63 THR CG2 C 21.45 0.05 1 610 . 63 THR N N 121.26 0.05 1 611 . 64 GLY HA2 H 4.62 0.01 2 612 . 64 GLY HA3 H 3.44 0.01 2 613 . 64 GLY H H 8.39 0.01 1 614 . 64 GLY C C 174.59 0.05 1 615 . 64 GLY CA C 47.97 0.05 1 616 . 64 GLY N N 108.48 0.05 1 617 . 65 ILE HA H 4.35 0.01 1 618 . 65 ILE HB H 2.28 0.01 1 619 . 65 ILE HD1 H 0.90 0.01 1 620 . 65 ILE HG12 H 1.45 0.01 2 621 . 65 ILE HG2 H 1.02 0.01 1 622 . 65 ILE H H 7.55 0.01 1 623 . 65 ILE C C 175.65 0.05 1 624 . 65 ILE CA C 62.53 0.05 1 625 . 65 ILE CB C 38.06 0.05 1 626 . 65 ILE CD1 C 14.25 0.05 1 627 . 65 ILE CG1 C 26.53 0.05 1 628 . 65 ILE CG2 C 17.94 0.05 1 629 . 65 ILE N N 120.00 0.05 1 630 . 66 GLY HA2 H 4.46 0.01 2 631 . 66 GLY HA3 H 3.61 0.01 2 632 . 66 GLY H H 9.67 0.01 1 633 . 66 GLY C C 174.47 0.05 1 634 . 66 GLY CA C 43.20 0.05 1 635 . 66 GLY N N 114.09 0.05 1 636 . 67 ASN HA H 4.35 0.01 1 637 . 67 ASN HB2 H 2.96 0.01 1 638 . 67 ASN HB3 H 2.96 0.01 1 639 . 67 ASN HD21 H 7.62 0.01 1 640 . 67 ASN HD22 H 6.95 0.01 1 641 . 67 ASN H H 10.05 0.01 1 642 . 67 ASN C C 176.37 0.05 1 643 . 67 ASN CA C 54.30 0.05 1 644 . 67 ASN CB C 37.61 0.05 1 645 . 67 ASN CG C 178.56 0.05 1 646 . 67 ASN N N 116.27 0.05 1 647 . 67 ASN ND2 N 114.16 0.05 1 648 . 68 GLY HA2 H 4.26 0.01 2 649 . 68 GLY HA3 H 3.93 0.01 2 650 . 68 GLY H H 9.13 0.01 1 651 . 68 GLY C C 173.10 0.05 1 652 . 68 GLY CA C 46.77 0.05 1 653 . 68 GLY N N 104.83 0.05 1 654 . 69 ILE HA H 5.22 0.01 1 655 . 69 ILE HB H 1.88 0.01 1 656 . 69 ILE HD1 H 0.89 0.01 1 657 . 69 ILE H H 7.18 0.01 1 658 . 69 ILE C C 175.76 0.05 1 659 . 69 ILE CA C 58.89 0.05 1 660 . 69 ILE CB C 40.23 0.05 1 661 . 69 ILE CD1 C 14.82 0.05 1 662 . 69 ILE CG1 C 27.71 0.05 1 663 . 69 ILE CG2 C 19.28 0.05 1 664 . 69 ILE N N 118.46 0.05 1 665 . 70 ALA HA H 5.35 0.01 1 666 . 70 ALA HB H 0.70 0.01 1 667 . 70 ALA H H 8.87 0.01 1 668 . 70 ALA C C 175.09 0.05 1 669 . 70 ALA CA C 50.94 0.05 1 670 . 70 ALA CB C 24.77 0.05 1 671 . 70 ALA N N 127.63 0.05 1 672 . 71 ILE HA H 6.02 0.01 1 673 . 71 ILE HB H 2.13 0.01 1 674 . 71 ILE HD1 H 1.07 0.01 1 675 . 71 ILE HG12 H 1.86 0.01 1 676 . 71 ILE HG13 H 1.86 0.01 1 677 . 71 ILE HG2 H 0.95 0.01 1 678 . 71 ILE H H 7.77 0.01 1 679 . 71 ILE CA C 57.27 0.05 1 680 . 71 ILE CB C 39.03 0.05 1 681 . 71 ILE CD1 C 17.67 0.05 1 682 . 71 ILE CG2 C 19.42 0.05 1 683 . 71 ILE N N 115.08 0.05 1 684 . 72 PRO HA H 4.92 0.01 1 685 . 72 PRO HB2 H 2.43 0.01 1 686 . 72 PRO HB3 H 2.43 0.01 1 687 . 72 PRO HG2 H 1.70 0.01 1 688 . 72 PRO HG3 H 1.70 0.01 1 689 . 72 PRO C C 175.27 0.05 1 690 . 72 PRO CA C 63.18 0.05 1 691 . 72 PRO CB C 32.15 0.05 1 692 . 72 PRO CG C 27.70 0.05 1 693 . 73 HIS HA H 5.33 0.01 1 694 . 73 HIS HB2 H 3.36 0.01 2 695 . 73 HIS H H 8.95 0.01 1 696 . 73 HIS C C 172.21 0.05 1 697 . 73 HIS CA C 55.33 0.05 1 698 . 73 HIS CB C 31.26 0.05 1 699 . 73 HIS N N 115.08 0.05 1 700 . 74 GLY HA2 H 4.27 0.01 1 701 . 74 GLY HA3 H 4.27 0.01 1 702 . 74 GLY H H 7.87 0.01 1 703 . 74 GLY C C 170.72 0.05 1 704 . 74 GLY CA C 44.69 0.05 1 705 . 74 GLY N N 99.46 0.05 1 706 . 75 LYS HA H 5.19 0.01 1 707 . 75 LYS HB2 H 1.65 0.01 1 708 . 75 LYS HB3 H 1.65 0.01 1 709 . 75 LYS HD2 H 0.76 0.01 2 710 . 75 LYS HG2 H 1.36 0.01 1 711 . 75 LYS HG3 H 1.36 0.01 1 712 . 75 LYS H H 8.59 0.01 1 713 . 75 LYS C C 175.17 0.05 1 714 . 75 LYS CA C 54.28 0.05 1 715 . 75 LYS CB C 34.60 0.05 1 716 . 75 LYS CD C 29.74 0.05 1 717 . 75 LYS CG C 24.21 0.05 1 718 . 75 LYS N N 122.24 0.05 1 719 . 76 LEU HA H 4.64 0.01 1 720 . 76 LEU HB2 H 1.52 0.01 1 721 . 76 LEU HB3 H 1.52 0.01 1 722 . 76 LEU HD1 H 0.74 0.01 2 723 . 76 LEU H H 8.40 0.01 1 724 . 76 LEU C C 176.59 0.05 1 725 . 76 LEU CA C 52.88 0.05 1 726 . 76 LEU CB C 43.83 0.05 1 727 . 76 LEU CD2 C 23.29 0.05 1 728 . 76 LEU CG C 27.11 0.05 1 729 . 76 LEU N N 123.98 0.05 1 730 . 77 GLU HA H 4.32 0.01 1 731 . 77 GLU HB2 H 2.19 0.01 2 732 . 77 GLU HB3 H 1.92 0.01 2 733 . 77 GLU HG2 H 2.26 0.01 1 734 . 77 GLU HG3 H 2.26 0.01 1 735 . 77 GLU H H 8.86 0.01 1 736 . 77 GLU C C 174.83 0.05 1 737 . 77 GLU CA C 56.89 0.05 1 738 . 77 GLU CB C 29.78 0.05 1 739 . 77 GLU CG C 36.49 0.05 1 740 . 77 GLU N N 121.72 0.05 1 741 . 78 GLU HA H 4.28 0.01 1 742 . 78 GLU HB2 H 2.00 0.01 2 743 . 78 GLU HB3 H 1.85 0.01 2 744 . 78 GLU HG2 H 2.29 0.01 1 745 . 78 GLU HG3 H 2.29 0.01 1 746 . 78 GLU H H 8.35 0.01 1 747 . 78 GLU C C 176.89 0.05 1 748 . 78 GLU CA C 57.23 0.05 1 749 . 78 GLU CB C 30.76 0.05 1 750 . 78 GLU CG C 36.41 0.05 1 751 . 78 GLU N N 119.43 0.05 1 752 . 79 ASP HA H 4.58 0.01 1 753 . 79 ASP HB2 H 2.74 0.01 1 754 . 79 ASP HB3 H 2.74 0.01 1 755 . 79 ASP H H 8.46 0.01 1 756 . 79 ASP C C 176.08 0.05 1 757 . 79 ASP CA C 54.88 0.05 1 758 . 79 ASP CB C 40.42 0.05 1 759 . 79 ASP N N 119.46 0.05 1 760 . 80 THR HA H 4.26 0.01 1 761 . 80 THR HB H 4.23 0.01 1 762 . 80 THR HG2 H 1.23 0.01 1 763 . 80 THR H H 7.77 0.01 1 764 . 80 THR C C 175.05 0.05 1 765 . 80 THR CA C 62.49 0.05 1 766 . 80 THR CB C 69.52 0.05 1 767 . 80 THR CG2 C 22.32 0.05 1 768 . 80 THR N N 113.26 0.05 1 769 . 81 LEU HA H 4.25 0.01 1 770 . 81 LEU HB2 H 1.80 0.01 2 771 . 81 LEU HB3 H 1.57 0.01 2 772 . 81 LEU HD1 H 0.90 0.01 2 773 . 81 LEU H H 8.05 0.01 1 774 . 81 LEU C C 176.54 0.05 1 775 . 81 LEU CA C 56.90 0.05 1 776 . 81 LEU CB C 43.05 0.05 1 777 . 81 LEU CD1 C 25.60 0.05 1 778 . 81 LEU CD2 C 23.39 0.05 1 779 . 81 LEU CG C 27.05 0.05 1 780 . 81 LEU N N 120.63 0.05 1 781 . 82 ARG HA H 4.66 0.01 1 782 . 82 ARG HB2 H 1.84 0.01 1 783 . 82 ARG HB3 H 1.84 0.01 1 784 . 82 ARG HD2 H 3.20 0.01 1 785 . 82 ARG HD3 H 3.20 0.01 1 786 . 82 ARG HG2 H 1.51 0.01 1 787 . 82 ARG HG3 H 1.51 0.01 1 788 . 82 ARG H H 7.72 0.01 1 789 . 82 ARG C C 175.85 0.05 1 790 . 82 ARG CA C 54.40 0.05 1 791 . 82 ARG CB C 32.47 0.05 1 792 . 82 ARG CD C 43.53 0.05 1 793 . 82 ARG CG C 26.24 0.05 1 794 . 82 ARG N N 116.93 0.05 1 795 . 83 ALA HA H 4.82 0.01 1 796 . 83 ALA HB H 1.04 0.01 1 797 . 83 ALA H H 8.23 0.01 1 798 . 83 ALA C C 176.00 0.05 1 799 . 83 ALA CA C 51.46 0.05 1 800 . 83 ALA CB C 19.40 0.05 1 801 . 83 ALA N N 121.25 0.05 1 802 . 84 VAL HA H 4.45 0.01 1 803 . 84 VAL HB H 1.83 0.01 1 804 . 84 VAL HG1 H 0.96 0.01 2 805 . 84 VAL H H 8.37 0.01 1 806 . 84 VAL C C 173.61 0.05 1 807 . 84 VAL CA C 61.91 0.05 1 808 . 84 VAL CB C 36.71 0.05 1 809 . 84 VAL CG1 C 21.65 0.05 1 810 . 84 VAL N N 119.36 0.05 1 811 . 85 GLY HA2 H 3.00 0.01 1 812 . 85 GLY HA3 H 5.51 0.01 1 813 . 85 GLY H H 8.65 0.01 1 814 . 85 GLY C C 171.62 0.05 1 815 . 85 GLY CA C 43.36 0.05 1 816 . 85 GLY N N 114.88 0.05 1 817 . 86 VAL HA H 4.43 0.01 1 818 . 86 VAL HB H 1.67 0.01 1 819 . 86 VAL HG1 H 0.98 0.01 2 820 . 86 VAL H H 8.29 0.01 1 821 . 86 VAL C C 173.09 0.05 1 822 . 86 VAL CA C 60.49 0.05 1 823 . 86 VAL CB C 37.17 0.05 1 824 . 86 VAL CG1 C 23.32 0.05 1 825 . 86 VAL CG2 C 21.50 0.05 1 826 . 86 VAL N N 119.11 0.05 1 827 . 87 PHE HA H 5.88 0.01 1 828 . 87 PHE HB2 H 3.17 0.01 2 829 . 87 PHE HB3 H 2.78 0.01 2 830 . 87 PHE H H 9.05 0.01 1 831 . 87 PHE HD1 H 7.01 0.01 1 832 . 87 PHE HE1 H 7.30 0.01 1 833 . 87 PHE HZ H 7.12 0.01 1 834 . 87 PHE C C 173.05 0.05 1 835 . 87 PHE CA C 55.82 0.05 1 836 . 87 PHE CB C 42.66 0.05 1 837 . 87 PHE CD1 C 130.04 0.05 1 838 . 87 PHE CE1 C 130.04 0.05 1 839 . 87 PHE CZ C 127.54 0.05 1 840 . 87 PHE N N 126.09 0.05 1 841 . 88 VAL HA H 4.91 0.01 1 842 . 88 VAL HB H 1.66 0.01 1 843 . 88 VAL HG1 H 0.68 0.01 2 844 . 88 VAL H H 8.59 0.01 1 845 . 88 VAL C C 171.94 0.05 1 846 . 88 VAL CA C 59.09 0.05 1 847 . 88 VAL CB C 35.98 0.05 1 848 . 88 VAL CG1 C 21.58 0.05 1 849 . 88 VAL N N 122.39 0.05 1 850 . 89 GLN HA H 4.99 0.01 1 851 . 89 GLN HB2 H 1.97 0.01 2 852 . 89 GLN HG2 H 2.22 0.01 2 853 . 89 GLN H H 8.08 0.01 1 854 . 89 GLN C C 174.42 0.05 1 855 . 89 GLN CA C 53.45 0.05 1 856 . 89 GLN CB C 32.88 0.05 1 857 . 89 GLN CG C 32.92 0.05 1 858 . 89 GLN N N 125.73 0.05 1 859 . 90 LEU HA H 4.73 0.01 1 860 . 90 LEU HB2 H 1.65 0.01 2 861 . 90 LEU HB3 H 1.50 0.01 2 862 . 90 LEU HD1 H 0.89 0.01 2 863 . 90 LEU HD2 H 0.62 0.01 2 864 . 90 LEU H H 9.13 0.01 1 865 . 90 LEU C C 177.09 0.05 1 866 . 90 LEU CA C 53.83 0.05 1 867 . 90 LEU CB C 42.30 0.05 1 868 . 90 LEU CD1 C 23.24 0.05 1 869 . 90 LEU CG C 27.08 0.05 1 870 . 90 LEU N N 125.64 0.05 1 871 . 91 GLU HA H 3.96 0.01 1 872 . 91 GLU HB2 H 1.76 0.01 2 873 . 91 GLU HB3 H 1.66 0.01 2 874 . 91 GLU HG2 H 2.18 0.01 1 875 . 91 GLU HG3 H 2.18 0.01 1 876 . 91 GLU H H 8.46 0.01 1 877 . 91 GLU C C 175.78 0.05 1 878 . 91 GLU CA C 58.45 0.05 1 879 . 91 GLU CB C 30.41 0.05 1 880 . 91 GLU CG C 35.66 0.05 1 881 . 91 GLU N N 121.34 0.05 1 882 . 92 THR HA H 4.80 0.01 1 883 . 92 THR HB H 4.05 0.01 1 884 . 92 THR HG2 H 1.24 0.01 1 885 . 92 THR H H 7.61 0.01 1 886 . 92 THR CA C 58.15 0.05 1 887 . 92 THR CB C 71.38 0.05 1 888 . 92 THR N N 110.74 0.05 1 889 . 93 PRO HA H 4.44 0.01 1 890 . 93 PRO HB2 H 2.07 0.01 1 891 . 93 PRO HB3 H 2.07 0.01 1 892 . 93 PRO HG2 H 1.80 0.01 1 893 . 93 PRO HG3 H 1.80 0.01 1 894 . 93 PRO C C 176.85 0.05 1 895 . 93 PRO CA C 62.47 0.05 1 896 . 93 PRO CB C 33.07 0.05 1 897 . 93 PRO CG C 27.63 0.05 1 898 . 94 ILE HA H 4.79 0.01 1 899 . 94 ILE HB H 1.69 0.01 1 900 . 94 ILE HD1 H 0.80 0.01 1 901 . 94 ILE HG12 H 1.10 0.01 2 902 . 94 ILE HG2 H 0.79 0.01 1 903 . 94 ILE H H 8.64 0.01 1 904 . 94 ILE C C 175.78 0.05 1 905 . 94 ILE CA C 58.61 0.05 1 906 . 94 ILE CB C 42.63 0.05 1 907 . 94 ILE CD1 C 14.97 0.05 1 908 . 94 ILE CG1 C 24.47 0.05 1 909 . 94 ILE CG2 C 17.97 0.05 1 910 . 94 ILE N N 114.41 0.05 1 911 . 95 ALA HA H 4.12 0.01 1 912 . 95 ALA HB H 1.48 0.01 1 913 . 95 ALA H H 8.63 0.01 1 914 . 95 ALA C C 178.38 0.05 1 915 . 95 ALA CA C 54.01 0.05 1 916 . 95 ALA CB C 18.18 0.05 1 917 . 95 ALA N N 126.78 0.05 1 918 . 96 PHE HA H 4.74 0.01 1 919 . 96 PHE HB2 H 2.98 0.01 2 920 . 96 PHE HB3 H 2.73 0.01 2 921 . 96 PHE H H 9.03 0.01 1 922 . 96 PHE HD1 H 7.01 0.01 1 923 . 96 PHE HE1 H 7.23 0.01 1 924 . 96 PHE HZ H 6.78 0.01 1 925 . 96 PHE C C 177.17 0.05 1 926 . 96 PHE CA C 56.00 0.05 1 927 . 96 PHE CB C 46.25 0.05 1 928 . 96 PHE CD1 C 130.04 0.05 1 929 . 96 PHE CE1 C 130.04 0.05 1 930 . 96 PHE CZ C 127.54 0.05 1 931 . 96 PHE N N 126.30 0.05 1 932 . 97 ASP HA H 4.46 0.01 1 933 . 97 ASP HB2 H 2.97 0.01 2 934 . 97 ASP HB3 H 2.74 0.01 2 935 . 97 ASP H H 8.70 0.01 1 936 . 97 ASP C C 175.83 0.05 1 937 . 97 ASP CA C 55.36 0.05 1 938 . 97 ASP CB C 39.37 0.05 1 939 . 97 ASP N N 121.26 0.05 1 940 . 98 ALA HA H 4.59 0.01 1 941 . 98 ALA HB H 1.65 0.01 1 942 . 98 ALA H H 8.17 0.01 1 943 . 98 ALA C C 180.98 0.05 1 944 . 98 ALA CA C 52.63 0.05 1 945 . 98 ALA CB C 22.53 0.05 1 946 . 98 ALA N N 118.65 0.05 1 947 . 99 ILE HA H 4.15 0.01 1 948 . 99 ILE HB H 2.04 0.01 1 949 . 99 ILE HD1 H 0.96 0.01 1 950 . 99 ILE HG12 H 1.50 0.01 2 951 . 99 ILE HG13 H 1.33 0.01 2 952 . 99 ILE HG2 H 0.97 0.01 1 953 . 99 ILE H H 8.19 0.01 1 954 . 99 ILE C C 174.99 0.05 1 955 . 99 ILE CA C 63.17 0.05 1 956 . 99 ILE CB C 38.69 0.05 1 957 . 99 ILE CD1 C 14.17 0.05 1 958 . 99 ILE CG1 C 27.89 0.05 1 959 . 99 ILE CG2 C 16.96 0.05 1 960 . 99 ILE N N 119.50 0.05 1 961 . 100 ASP HA H 4.74 0.01 1 962 . 100 ASP HB2 H 3.23 0.01 2 963 . 100 ASP HB3 H 2.60 0.01 2 964 . 100 ASP H H 7.57 0.01 1 965 . 100 ASP C C 176.71 0.05 1 966 . 100 ASP CA C 52.13 0.05 1 967 . 100 ASP CB C 40.58 0.05 1 968 . 100 ASP N N 117.13 0.05 1 969 . 101 ASN HA H 4.34 0.01 1 970 . 101 ASN HB2 H 2.87 0.01 2 971 . 101 ASN HB3 H 3.15 0.01 2 972 . 101 ASN HD21 H 7.55 0.01 1 973 . 101 ASN HD22 H 6.85 0.01 1 974 . 101 ASN H H 8.08 0.01 1 975 . 101 ASN C C 173.77 0.05 1 976 . 101 ASN CA C 54.80 0.05 1 977 . 101 ASN CB C 38.38 0.05 1 978 . 101 ASN CG C 180.63 0.05 1 979 . 101 ASN N N 112.34 0.05 1 980 . 101 ASN ND2 N 112.18 0.05 1 981 . 102 GLN HA H 4.83 0.01 1 982 . 102 GLN HB2 H 2.10 0.01 1 983 . 102 GLN HB3 H 2.10 0.01 1 984 . 102 GLN HE21 H 7.36 0.01 1 985 . 102 GLN HE22 H 6.77 0.01 1 986 . 102 GLN H H 7.46 0.01 1 987 . 102 GLN CA C 53.29 0.05 1 988 . 102 GLN CB C 28.02 0.05 1 989 . 102 GLN CD C 180.04 0.05 1 990 . 102 GLN N N 117.71 0.05 1 991 . 102 GLN NE2 N 111.04 0.05 1 992 . 103 PRO HA H 4.56 0.01 1 993 . 103 PRO HB2 H 1.61 0.01 2 994 . 103 PRO HG2 H 1.94 0.01 2 995 . 103 PRO C C 174.52 0.05 1 996 . 103 PRO CA C 63.13 0.05 1 997 . 103 PRO CB C 32.41 0.05 1 998 . 103 PRO CG C 26.86 0.05 1 999 . 104 VAL HA H 3.96 0.01 1 1000 . 104 VAL HB H 1.40 0.01 1 1001 . 104 VAL HG1 H 0.52 0.01 2 1002 . 104 VAL HG2 H 0.27 0.01 2 1003 . 104 VAL H H 9.22 0.01 1 1004 . 104 VAL C C 174.34 0.05 1 1005 . 104 VAL CA C 61.32 0.05 1 1006 . 104 VAL CB C 35.86 0.05 1 1007 . 104 VAL CG1 C 22.60 0.05 1 1008 . 104 VAL CG2 C 21.13 0.05 1 1009 . 104 VAL N N 119.45 0.05 1 1010 . 105 ASP HA H 4.60 0.01 1 1011 . 105 ASP HB2 H 3.08 0.01 2 1012 . 105 ASP HB3 H 2.07 0.01 2 1013 . 105 ASP H H 9.00 0.01 1 1014 . 105 ASP C C 173.64 0.05 1 1015 . 105 ASP CA C 53.00 0.05 1 1016 . 105 ASP CB C 42.39 0.05 1 1017 . 105 ASP N N 121.85 0.05 1 1018 . 106 LEU HA H 5.12 0.01 1 1019 . 106 LEU HB2 H 1.22 0.01 2 1020 . 106 LEU HD1 H 1.00 0.01 2 1021 . 106 LEU HG H 2.13 0.01 1 1022 . 106 LEU H H 7.54 0.01 1 1023 . 106 LEU C C 174.56 0.05 1 1024 . 106 LEU CA C 53.92 0.05 1 1025 . 106 LEU CB C 44.92 0.05 1 1026 . 106 LEU CD1 C 23.66 0.05 1 1027 . 106 LEU CG C 26.10 0.05 1 1028 . 106 LEU N N 120.63 0.05 1 1029 . 107 LEU HA H 5.41 0.01 1 1030 . 107 LEU HB2 H 1.51 0.01 2 1031 . 107 LEU HB3 H 0.98 0.01 2 1032 . 107 LEU HD1 H 0.47 0.01 2 1033 . 107 LEU HG H 1.88 0.01 1 1034 . 107 LEU H H 8.33 0.01 1 1035 . 107 LEU C C 173.58 0.05 1 1036 . 107 LEU CA C 54.54 0.05 1 1037 . 107 LEU CB C 44.29 0.05 1 1038 . 107 LEU CD1 C 26.64 0.05 1 1039 . 107 LEU CG C 28.48 0.05 1 1040 . 107 LEU N N 120.32 0.05 1 1041 . 108 PHE HA H 5.61 0.01 1 1042 . 108 PHE HB2 H 3.25 0.01 2 1043 . 108 PHE HB3 H 2.68 0.01 2 1044 . 108 PHE H H 8.44 0.01 1 1045 . 108 PHE HD1 H 7.00 0.01 1 1046 . 108 PHE HE1 H 7.28 0.01 1 1047 . 108 PHE HZ H 6.92 0.01 1 1048 . 108 PHE C C 172.66 0.05 1 1049 . 108 PHE CA C 55.51 0.05 1 1050 . 108 PHE CB C 42.08 0.05 1 1051 . 108 PHE CD1 C 130.04 0.05 1 1052 . 108 PHE CE1 C 130.04 0.05 1 1053 . 108 PHE CZ C 128.79 0.05 1 1054 . 108 PHE N N 123.95 0.05 1 1055 . 109 ALA HA H 6.04 0.01 1 1056 . 109 ALA HB H 1.02 0.01 1 1057 . 109 ALA H H 9.14 0.01 1 1058 . 109 ALA C C 176.09 0.05 1 1059 . 109 ALA CA C 48.19 0.05 1 1060 . 109 ALA CB C 25.11 0.05 1 1061 . 109 ALA N N 126.24 0.05 1 1062 . 110 LEU HA H 5.01 0.01 1 1063 . 110 LEU HB2 H 1.77 0.01 2 1064 . 110 LEU HB3 H 1.21 0.01 2 1065 . 110 LEU HD1 H 0.79 0.01 2 1066 . 110 LEU HG H 1.47 0.01 1 1067 . 110 LEU H H 7.68 0.01 1 1068 . 110 LEU C C 173.72 0.05 1 1069 . 110 LEU CA C 53.60 0.05 1 1070 . 110 LEU CB C 47.87 0.05 1 1071 . 110 LEU CD1 C 23.54 0.05 1 1072 . 110 LEU CG C 27.27 0.05 1 1073 . 110 LEU N N 117.54 0.05 1 1074 . 111 LEU HA H 5.20 0.01 1 1075 . 111 LEU HB2 H 1.46 0.01 2 1076 . 111 LEU HB3 H 1.93 0.01 2 1077 . 111 LEU H H 8.89 0.01 1 1078 . 111 LEU C C 179.51 0.05 1 1079 . 111 LEU CA C 51.17 0.05 1 1080 . 111 LEU CB C 41.16 0.05 1 1081 . 111 LEU CD1 C 22.98 0.05 1 1082 . 111 LEU CG C 28.83 0.05 1 1083 . 111 LEU N N 129.78 0.05 1 1084 . 112 VAL HA H 3.91 0.01 1 1085 . 112 VAL H H 8.25 0.01 1 1086 . 112 VAL CA C 58.82 0.05 1 1087 . 112 VAL CB C 32.70 0.05 1 1088 . 112 VAL N N 116.74 0.05 1 1089 . 113 PRO HA H 4.52 0.01 1 1090 . 113 PRO HB2 H 2.51 0.01 2 1091 . 113 PRO HG2 H 1.97 0.01 2 1092 . 113 PRO HG3 H 1.72 0.01 2 1093 . 113 PRO C C 178.34 0.05 1 1094 . 113 PRO CA C 62.51 0.05 1 1095 . 113 PRO CB C 32.81 0.05 1 1096 . 113 PRO CD C 50.95 0.05 1 1097 . 113 PRO CG C 28.01 0.05 1 1098 . 114 ALA HA H 3.93 0.01 1 1099 . 114 ALA HB H 1.45 0.01 1 1100 . 114 ALA H H 8.34 0.01 1 1101 . 114 ALA C C 178.20 0.05 1 1102 . 114 ALA CA C 55.20 0.05 1 1103 . 114 ALA CB C 19.04 0.05 1 1104 . 114 ALA N N 124.31 0.05 1 1105 . 115 ASP HA H 4.68 0.01 1 1106 . 115 ASP HB2 H 2.81 0.01 1 1107 . 115 ASP HB3 H 2.81 0.01 1 1108 . 115 ASP H H 8.60 0.01 1 1109 . 115 ASP C C 176.91 0.05 1 1110 . 115 ASP CA C 54.64 0.05 1 1111 . 115 ASP CB C 40.43 0.05 1 1112 . 115 ASP N N 114.98 0.05 1 1113 . 116 GLN HA H 4.47 0.01 1 1114 . 116 GLN HB2 H 2.28 0.01 1 1115 . 116 GLN HB3 H 2.28 0.01 1 1116 . 116 GLN HE21 H 7.40 0.01 1 1117 . 116 GLN HE22 H 6.79 0.01 1 1118 . 116 GLN HG2 H 2.40 0.01 1 1119 . 116 GLN HG3 H 2.40 0.01 1 1120 . 116 GLN H H 8.23 0.01 1 1121 . 116 GLN C C 176.50 0.05 1 1122 . 116 GLN CA C 55.31 0.05 1 1123 . 116 GLN CB C 29.35 0.05 1 1124 . 116 GLN CD C 180.17 0.05 1 1125 . 116 GLN CG C 33.41 0.05 1 1126 . 116 GLN N N 118.84 0.05 1 1127 . 116 GLN NE2 N 111.60 0.05 1 1128 . 117 THR H H 7.80 0.01 1 1129 . 117 THR CA C 65.81 0.05 1 1130 . 117 THR N N 113.89 0.05 1 1131 . 119 THR HA H 4.03 0.01 1 1132 . 119 THR HB H 4.48 0.01 1 1133 . 119 THR HG2 H 0.98 0.01 1 1134 . 119 THR C C 176.25 0.05 1 1135 . 119 THR CA C 64.94 0.05 1 1136 . 119 THR CB C 69.00 0.05 1 1137 . 119 THR CG2 C 21.48 0.05 1 1138 . 120 HIS HB2 H 3.22 0.01 2 1139 . 120 HIS HB3 H 2.88 0.01 2 1140 . 120 HIS H H 7.66 0.01 1 1141 . 120 HIS C C 176.96 0.05 1 1142 . 120 HIS CA C 58.78 0.05 1 1143 . 120 HIS CB C 31.75 0.05 1 1144 . 120 HIS N N 118.29 0.05 1 1145 . 121 LEU H H 7.95 0.01 1 1146 . 121 LEU CA C 58.06 0.05 1 1147 . 121 LEU CB C 41.09 0.05 1 1148 . 121 LEU N N 120.97 0.05 1 1149 . 122 HIS HB2 H 3.19 0.01 1 1150 . 122 HIS HB3 H 3.19 0.01 1 1151 . 122 HIS C C 177.18 0.05 1 1152 . 122 HIS CA C 58.91 0.05 1 1153 . 122 HIS CB C 30.29 0.05 1 1154 . 123 THR HA H 3.65 0.01 1 1155 . 123 THR HB H 4.34 0.01 1 1156 . 123 THR HG2 H 1.10 0.01 1 1157 . 123 THR H H 7.51 0.01 1 1158 . 123 THR C C 175.61 0.05 1 1159 . 123 THR CA C 66.74 0.05 1 1160 . 123 THR CB C 67.59 0.05 1 1161 . 123 THR CG2 C 22.69 0.05 1 1162 . 123 THR N N 116.84 0.05 1 1163 . 124 LEU HA H 3.80 0.01 1 1164 . 124 LEU HB2 H 1.78 0.01 2 1165 . 124 LEU HB3 H 1.52 0.01 2 1166 . 124 LEU HD1 H 0.59 0.01 2 1167 . 124 LEU H H 7.87 0.01 1 1168 . 124 LEU C C 178.57 0.05 1 1169 . 124 LEU CA C 58.31 0.05 1 1170 . 124 LEU CB C 41.57 0.05 1 1171 . 124 LEU CD1 C 23.91 0.05 1 1172 . 124 LEU CG C 26.50 0.05 1 1173 . 124 LEU N N 119.48 0.05 1 1174 . 125 SER HA H 4.18 0.01 1 1175 . 125 SER HB2 H 3.95 0.01 1 1176 . 125 SER HB3 H 3.95 0.01 1 1177 . 125 SER H H 7.62 0.01 1 1178 . 125 SER C C 176.71 0.05 1 1179 . 125 SER CA C 61.49 0.05 1 1180 . 125 SER CB C 62.65 0.05 1 1181 . 125 SER N N 114.43 0.05 1 1182 . 126 LEU HA H 4.01 0.01 1 1183 . 126 LEU HB2 H 1.80 0.01 2 1184 . 126 LEU HB3 H 1.50 0.01 2 1185 . 126 LEU HD1 H 0.77 0.01 2 1186 . 126 LEU H H 7.76 0.01 1 1187 . 126 LEU C C 179.78 0.05 1 1188 . 126 LEU CA C 57.82 0.05 1 1189 . 126 LEU CB C 41.86 0.05 1 1190 . 126 LEU CD1 C 25.14 0.05 1 1191 . 126 LEU CD2 C 23.55 0.05 1 1192 . 126 LEU CG C 26.73 0.05 1 1193 . 126 LEU N N 122.84 0.05 1 1194 . 127 VAL HA H 3.15 0.01 1 1195 . 127 VAL HB H 1.72 0.01 1 1196 . 127 VAL HG1 H 0.25 0.01 2 1197 . 127 VAL H H 8.03 0.01 1 1198 . 127 VAL C C 176.95 0.05 1 1199 . 127 VAL CA C 66.98 0.05 1 1200 . 127 VAL CB C 31.17 0.05 1 1201 . 127 VAL CG1 C 21.95 0.05 1 1202 . 127 VAL CG2 C 20.85 0.05 1 1203 . 127 VAL N N 120.72 0.05 1 1204 . 128 ALA HA H 3.77 0.01 1 1205 . 128 ALA HB H 1.39 0.01 1 1206 . 128 ALA H H 8.01 0.01 1 1207 . 128 ALA C C 179.57 0.05 1 1208 . 128 ALA CA C 55.59 0.05 1 1209 . 128 ALA CB C 17.70 0.05 1 1210 . 128 ALA N N 120.80 0.05 1 1211 . 129 LYS HA H 3.96 0.01 1 1212 . 129 LYS HB2 H 2.07 0.01 2 1213 . 129 LYS HB3 H 1.89 0.01 2 1214 . 129 LYS HD2 H 1.41 0.01 1 1215 . 129 LYS HD3 H 1.41 0.01 1 1216 . 129 LYS HE2 H 2.96 0.01 1 1217 . 129 LYS HE3 H 2.96 0.01 1 1218 . 129 LYS HG2 H 1.60 0.01 1 1219 . 129 LYS HG3 H 1.60 0.01 1 1220 . 129 LYS H H 7.63 0.01 1 1221 . 129 LYS C C 179.20 0.05 1 1222 . 129 LYS CA C 59.19 0.05 1 1223 . 129 LYS CB C 32.53 0.05 1 1224 . 129 LYS CD C 29.43 0.05 1 1225 . 129 LYS CE C 41.91 0.05 1 1226 . 129 LYS CG C 25.17 0.05 1 1227 . 129 LYS N N 116.56 0.05 1 1228 . 130 ARG HA H 4.04 0.01 1 1229 . 130 ARG HB2 H 1.82 0.01 1 1230 . 130 ARG HB3 H 1.82 0.01 1 1231 . 130 ARG H H 7.76 0.01 1 1232 . 130 ARG C C 177.34 0.05 1 1233 . 130 ARG CA C 58.97 0.05 1 1234 . 130 ARG CB C 29.55 0.05 1 1235 . 130 ARG CD C 42.94 0.05 1 1236 . 130 ARG CG C 26.91 0.05 1 1237 . 130 ARG N N 121.15 0.05 1 1238 . 131 LEU HA H 3.97 0.01 1 1239 . 131 LEU HB2 H 1.60 0.01 2 1240 . 131 LEU HD1 H 0.73 0.01 2 1241 . 131 LEU H H 7.85 0.01 1 1242 . 131 LEU C C 175.01 0.05 1 1243 . 131 LEU CA C 55.38 0.05 1 1244 . 131 LEU CB C 41.07 0.05 1 1245 . 131 LEU CD1 C 24.52 0.05 1 1246 . 131 LEU CD2 C 22.98 0.05 1 1247 . 131 LEU CG C 26.11 0.05 1 1248 . 131 LEU N N 113.08 0.05 1 1249 . 132 ALA HA H 4.21 0.01 1 1250 . 132 ALA HB H 1.45 0.01 1 1251 . 132 ALA H H 7.17 0.01 1 1252 . 132 ALA C C 178.21 0.05 1 1253 . 132 ALA CA C 52.31 0.05 1 1254 . 132 ALA CB C 18.62 0.05 1 1255 . 132 ALA N N 117.67 0.05 1 1256 . 133 ASP HA H 4.56 0.01 1 1257 . 133 ASP HB2 H 3.14 0.01 2 1258 . 133 ASP HB3 H 2.65 0.01 2 1259 . 133 ASP H H 7.23 0.01 1 1260 . 133 ASP C C 176.63 0.05 1 1261 . 133 ASP CA C 54.22 0.05 1 1262 . 133 ASP CB C 42.61 0.05 1 1263 . 133 ASP N N 119.57 0.05 1 1264 . 134 LYS HA H 3.96 0.01 1 1265 . 134 LYS HB2 H 1.88 0.01 2 1266 . 134 LYS HG2 H 1.64 0.01 2 1267 . 134 LYS H H 8.84 0.01 1 1268 . 134 LYS C C 179.38 0.05 1 1269 . 134 LYS CA C 59.67 0.05 1 1270 . 134 LYS CB C 32.48 0.05 1 1271 . 134 LYS CD C 29.11 0.05 1 1272 . 134 LYS CE C 42.22 0.05 1 1273 . 134 LYS CG C 25.36 0.05 1 1274 . 134 LYS N N 127.23 0.05 1 1275 . 135 THR HA H 4.00 0.01 1 1276 . 135 THR HB H 4.42 0.01 1 1277 . 135 THR HG2 H 1.23 0.01 1 1278 . 135 THR H H 8.40 0.01 1 1279 . 135 THR C C 176.56 0.05 1 1280 . 135 THR CA C 66.46 0.05 1 1281 . 135 THR CB C 67.79 0.05 1 1282 . 135 THR CG2 C 21.97 0.05 1 1283 . 135 THR N N 117.50 0.05 1 1284 . 136 ILE HA H 3.69 0.01 1 1285 . 136 ILE HB H 2.24 0.01 1 1286 . 136 ILE HD1 H 0.81 0.01 1 1287 . 136 ILE HG12 H 1.53 0.01 2 1288 . 136 ILE HG13 H 1.25 0.01 2 1289 . 136 ILE HG2 H 0.85 0.01 1 1290 . 136 ILE H H 8.11 0.01 1 1291 . 136 ILE C C 178.46 0.05 1 1292 . 136 ILE CA C 64.53 0.05 1 1293 . 136 ILE CB C 36.40 0.05 1 1294 . 136 ILE CD1 C 11.45 0.05 1 1295 . 136 ILE CG1 C 28.81 0.05 1 1296 . 136 ILE CG2 C 17.00 0.05 1 1297 . 136 ILE N N 124.16 0.05 1 1298 . 137 CYS HA H 3.97 0.01 1 1299 . 137 CYS HB2 H 2.85 0.01 2 1300 . 137 CYS H H 8.08 0.01 1 1301 . 137 CYS C C 176.57 0.05 1 1302 . 137 CYS CA C 65.03 0.05 1 1303 . 137 CYS CB C 26.52 0.05 1 1304 . 137 CYS N N 117.36 0.05 1 1305 . 138 ARG HA H 4.03 0.01 1 1306 . 138 ARG HB2 H 1.98 0.01 1 1307 . 138 ARG HB3 H 1.98 0.01 1 1308 . 138 ARG HD2 H 3.24 0.01 1 1309 . 138 ARG HD3 H 3.24 0.01 1 1310 . 138 ARG HG2 H 1.70 0.01 1 1311 . 138 ARG HG3 H 1.70 0.01 1 1312 . 138 ARG H H 7.63 0.01 1 1313 . 138 ARG C C 179.53 0.05 1 1314 . 138 ARG CA C 59.74 0.05 1 1315 . 138 ARG CB C 29.91 0.05 1 1316 . 138 ARG CD C 43.45 0.05 1 1317 . 138 ARG CG C 27.37 0.05 1 1318 . 138 ARG N N 119.52 0.05 1 1319 . 139 ARG HA H 4.00 0.01 1 1320 . 139 ARG HB2 H 1.96 0.01 1 1321 . 139 ARG HB3 H 1.96 0.01 1 1322 . 139 ARG HD2 H 3.01 0.01 1 1323 . 139 ARG HD3 H 3.01 0.01 1 1324 . 139 ARG HG2 H 1.61 0.01 1 1325 . 139 ARG HG3 H 1.61 0.01 1 1326 . 139 ARG H H 7.83 0.01 1 1327 . 139 ARG C C 179.66 0.05 1 1328 . 139 ARG CA C 59.62 0.05 1 1329 . 139 ARG CB C 30.31 0.05 1 1330 . 139 ARG CD C 43.98 0.05 1 1331 . 139 ARG CG C 27.59 0.05 1 1332 . 139 ARG N N 119.26 0.05 1 1333 . 140 LEU HA H 3.94 0.01 1 1334 . 140 LEU HB2 H 2.18 0.01 2 1335 . 140 LEU HB3 H 1.35 0.01 2 1336 . 140 LEU HD1 H 0.86 0.01 2 1337 . 140 LEU H H 8.78 0.01 1 1338 . 140 LEU C C 179.14 0.05 1 1339 . 140 LEU CA C 57.97 0.05 1 1340 . 140 LEU CB C 42.77 0.05 1 1341 . 140 LEU CG C 28.20 0.05 1 1342 . 140 LEU CD1 C 25.47 0.05 2 1343 . 140 LEU N N 119.58 0.05 1 1344 . 141 ARG HA H 3.96 0.01 1 1345 . 141 ARG HB2 H 1.96 0.01 2 1346 . 141 ARG HB3 H 1.75 0.01 2 1347 . 141 ARG HD2 H 3.17 0.01 2 1348 . 141 ARG HG2 H 1.65 0.01 2 1349 . 141 ARG H H 8.08 0.01 1 1350 . 141 ARG C C 176.40 0.05 1 1351 . 141 ARG CA C 60.03 0.05 1 1352 . 141 ARG CB C 29.96 0.05 1 1353 . 141 ARG CD C 42.92 0.05 1 1354 . 141 ARG CG C 31.87 0.05 1 1355 . 141 ARG N N 116.23 0.05 1 1356 . 142 ALA HA H 4.42 0.01 1 1357 . 142 ALA HB H 1.47 0.01 1 1358 . 142 ALA H H 7.33 0.01 1 1359 . 142 ALA C C 177.56 0.05 1 1360 . 142 ALA CA C 51.70 0.05 1 1361 . 142 ALA CB C 19.42 0.05 1 1362 . 142 ALA N N 119.36 0.05 1 1363 . 143 ALA HA H 4.14 0.01 1 1364 . 143 ALA HB H 1.41 0.01 1 1365 . 143 ALA H H 7.07 0.01 1 1366 . 143 ALA C C 178.35 0.05 1 1367 . 143 ALA CA C 53.50 0.05 1 1368 . 143 ALA CB C 19.32 0.05 1 1369 . 143 ALA N N 122.51 0.05 1 1370 . 144 GLN HA H 4.46 0.01 1 1371 . 144 GLN HB2 H 2.42 0.01 1 1372 . 144 GLN HB3 H 2.42 0.01 1 1373 . 144 GLN HE21 H 7.47 0.01 1 1374 . 144 GLN HE22 H 6.76 0.01 1 1375 . 144 GLN HG2 H 2.48 0.01 2 1376 . 144 GLN H H 8.80 0.01 1 1377 . 144 GLN C C 174.82 0.05 1 1378 . 144 GLN CA C 55.25 0.05 1 1379 . 144 GLN CB C 30.99 0.05 1 1380 . 144 GLN CD C 180.74 0.05 1 1381 . 144 GLN CG C 34.03 0.05 1 1382 . 144 GLN N N 117.80 0.05 1 1383 . 144 GLN NE2 N 112.53 0.05 1 1384 . 145 SER HA H 4.83 0.01 1 1385 . 145 SER HB2 H 4.27 0.01 2 1386 . 145 SER HB3 H 3.98 0.01 2 1387 . 145 SER H H 7.49 0.01 1 1388 . 145 SER C C 174.21 0.05 1 1389 . 145 SER CA C 56.78 0.05 1 1390 . 145 SER CB C 66.88 0.05 1 1391 . 145 SER N N 111.00 0.05 1 1392 . 146 ASP HA H 4.12 0.01 1 1393 . 146 ASP HB2 H 3.15 0.01 2 1394 . 146 ASP HB3 H 2.73 0.01 2 1395 . 146 ASP H H 9.02 0.01 1 1396 . 146 ASP C C 178.57 0.05 1 1397 . 146 ASP CA C 57.83 0.05 1 1398 . 146 ASP CB C 39.69 0.05 1 1399 . 146 ASP N N 123.53 0.05 1 1400 . 147 GLU HA H 4.06 0.01 1 1401 . 147 GLU HB2 H 2.18 0.01 2 1402 . 147 GLU HB3 H 1.88 0.01 2 1403 . 147 GLU HG2 H 2.41 0.01 2 1404 . 147 GLU H H 8.60 0.01 1 1405 . 147 GLU C C 178.07 0.05 1 1406 . 147 GLU CA C 59.28 0.05 1 1407 . 147 GLU CB C 29.38 0.05 1 1408 . 147 GLU CG C 35.20 0.05 1 1409 . 147 GLU N N 120.60 0.05 1 1410 . 148 GLU HA H 4.01 0.01 1 1411 . 148 GLU HB2 H 2.08 0.01 2 1412 . 148 GLU HG2 H 2.41 0.01 2 1413 . 148 GLU HG3 H 2.23 0.01 2 1414 . 148 GLU H H 7.75 0.01 1 1415 . 148 GLU C C 178.25 0.05 1 1416 . 148 GLU CA C 59.17 0.05 1 1417 . 148 GLU CB C 30.74 0.05 1 1418 . 148 GLU CG C 36.09 0.05 1 1419 . 148 GLU N N 120.53 0.05 1 1420 . 149 LEU HA H 3.78 0.01 1 1421 . 149 LEU H H 7.77 0.01 1 1422 . 149 LEU C C 177.58 0.05 1 1423 . 149 LEU CA C 58.20 0.05 1 1424 . 149 LEU CB C 43.13 0.05 1 1425 . 149 LEU CD1 C 26.97 0.05 1 1426 . 149 LEU CD2 C 25.41 0.05 1 1427 . 149 LEU CG C 27.91 0.05 1 1428 . 149 LEU N N 117.39 0.05 1 1429 . 150 TYR HA H 3.89 0.01 1 1430 . 150 TYR HB2 H 3.14 0.01 2 1431 . 150 TYR HB3 H 3.10 0.01 2 1432 . 150 TYR HD1 H 6.99 0.01 1 1433 . 150 TYR HE1 H 6.55 0.01 1 1434 . 150 TYR H H 8.08 0.01 1 1435 . 150 TYR C C 178.57 0.05 1 1436 . 150 TYR CA C 62.50 0.05 1 1437 . 150 TYR CB C 38.93 0.05 1 1438 . 150 TYR CD1 C 130.04 0.05 1 1439 . 150 TYR CE1 C 115.67 0.05 1 1440 . 150 TYR N N 116.64 0.05 1 1441 . 151 GLN HA H 3.68 0.01 1 1442 . 151 GLN HB2 H 2.18 0.01 2 1443 . 151 GLN HB3 H 2.12 0.01 2 1444 . 151 GLN HE21 H 7.90 0.01 1 1445 . 151 GLN HE22 H 6.71 0.01 1 1446 . 151 GLN HG2 H 2.42 0.01 2 1447 . 151 GLN HG3 H 2.70 0.01 2 1448 . 151 GLN H H 8.54 0.01 1 1449 . 151 GLN C C 177.96 0.05 1 1450 . 151 GLN CA C 59.08 0.05 1 1451 . 151 GLN CB C 28.22 0.05 1 1452 . 151 GLN CG C 33.94 0.05 1 1453 . 151 GLN N N 120.70 0.05 1 1454 . 151 GLN NE2 N 111.37 0.05 1 1455 . 152 ILE HA H 3.72 0.01 1 1456 . 152 ILE HB H 1.66 0.01 1 1457 . 152 ILE HD1 H 0.72 0.01 1 1458 . 152 ILE HG12 H 1.50 0.01 2 1459 . 152 ILE HG13 H 1.14 0.01 2 1460 . 152 ILE H H 8.02 0.01 1 1461 . 152 ILE C C 179.32 0.05 1 1462 . 152 ILE CA C 64.93 0.05 1 1463 . 152 ILE CB C 38.77 0.05 1 1464 . 152 ILE CD1 C 15.21 0.05 1 1465 . 152 ILE CG1 C 28.31 0.05 1 1466 . 152 ILE CG2 C 18.68 0.05 1 1467 . 152 ILE N N 116.93 0.05 1 1468 . 153 ILE HA H 3.79 0.01 1 1469 . 153 ILE HB H 1.40 0.01 1 1470 . 153 ILE HD1 H 0.20 0.01 1 1471 . 153 ILE HG12 H 1.00 0.01 2 1472 . 153 ILE HG13 H 0.60 0.01 2 1473 . 153 ILE HG2 H 0.72 0.01 1 1474 . 153 ILE H H 7.81 0.01 1 1475 . 153 ILE C C 175.70 0.05 1 1476 . 153 ILE CA C 62.56 0.05 1 1477 . 153 ILE CB C 37.93 0.05 1 1478 . 153 ILE CD1 C 13.15 0.05 1 1479 . 153 ILE CG1 C 29.64 0.05 1 1480 . 153 ILE CG2 C 18.77 0.05 1 1481 . 153 ILE N N 117.18 0.05 1 1482 . 154 THR HA H 3.96 0.01 1 1483 . 154 THR HB H 4.18 0.01 1 1484 . 154 THR HG2 H 0.54 0.01 1 1485 . 154 THR H H 7.20 0.01 1 1486 . 154 THR C C 174.47 0.05 1 1487 . 154 THR CA C 62.70 0.05 1 1488 . 154 THR CB C 69.64 0.05 1 1489 . 154 THR CG2 C 21.19 0.05 1 1490 . 154 THR N N 107.30 0.05 1 1491 . 155 ASP HA H 4.60 0.01 1 1492 . 155 ASP HB2 H 2.95 0.01 2 1493 . 155 ASP HB3 H 2.68 0.01 2 1494 . 155 ASP H H 7.38 0.01 1 1495 . 155 ASP C C 176.42 0.05 1 1496 . 155 ASP CA C 54.95 0.05 1 1497 . 155 ASP CB C 40.83 0.05 1 1498 . 155 ASP N N 122.77 0.05 1 1499 . 156 THR HA H 4.35 0.01 1 1500 . 156 THR HB H 4.34 0.01 1 1501 . 156 THR HG2 H 1.18 0.01 1 1502 . 156 THR H H 8.21 0.01 1 1503 . 156 THR C C 175.03 0.05 1 1504 . 156 THR CA C 61.78 0.05 1 1505 . 156 THR CB C 69.28 0.05 1 1506 . 156 THR CG2 C 21.67 0.05 1 1507 . 156 THR N N 113.01 0.05 1 1508 . 157 GLU HA H 4.28 0.01 1 1509 . 157 GLU HB2 H 2.04 0.01 2 1510 . 157 GLU HB3 H 1.95 0.01 2 1511 . 157 GLU HG2 H 2.24 0.01 2 1512 . 157 GLU H H 8.25 0.01 1 1513 . 157 GLU C C 177.10 0.05 1 1514 . 157 GLU CA C 57.10 0.05 1 1515 . 157 GLU CB C 30.48 0.05 1 1516 . 157 GLU CG C 36.68 0.05 1 1517 . 157 GLU N N 122.43 0.05 1 1518 . 158 GLY HA2 H 3.95 0.01 1 1519 . 158 GLY HA3 H 3.95 0.01 1 1520 . 158 GLY H H 8.33 0.01 1 1521 . 158 GLY C C 173.92 0.05 1 1522 . 158 GLY CA C 45.22 0.05 1 1523 . 158 GLY N N 109.57 0.05 1 1524 . 159 THR HA H 4.62 0.01 1 1525 . 159 THR HB H 4.17 0.01 1 1526 . 159 THR HG2 H 1.24 0.01 1 1527 . 159 THR H H 8.08 0.01 1 1528 . 159 THR CA C 59.88 0.05 1 1529 . 159 THR CB C 69.98 0.05 1 1530 . 159 THR N N 116.09 0.05 1 1531 . 160 PRO HA H 4.45 0.01 1 1532 . 160 PRO HB2 H 2.29 0.01 2 1533 . 160 PRO HB3 H 2.25 0.01 2 1534 . 160 PRO HD2 H 3.73 0.01 2 1535 . 160 PRO HD3 H 3.81 0.01 2 1536 . 160 PRO HG2 H 1.97 0.01 2 1537 . 160 PRO C C 174.89 0.05 1 1538 . 160 PRO CA C 63.34 0.05 1 1539 . 160 PRO CB C 32.23 0.05 1 1540 . 160 PRO CD C 51.07 0.05 1 1541 . 160 PRO CG C 27.28 0.05 1 1542 . 161 ASP HA H 4.55 0.01 1 1543 . 161 ASP HB2 H 2.65 0.01 2 1544 . 161 ASP HB3 H 2.57 0.01 2 1545 . 161 ASP H H 8.33 0.01 1 1546 . 161 ASP C C 175.99 0.05 1 1547 . 161 ASP CA C 54.59 0.05 1 1548 . 161 ASP CB C 41.34 0.05 1 1549 . 161 ASP N N 120.46 0.05 1 1550 . 162 GLU HA H 4.29 0.01 1 1551 . 162 GLU HB2 H 2.18 0.01 2 1552 . 162 GLU HB3 H 1.91 0.01 2 1553 . 162 GLU H H 8.17 0.01 1 1554 . 162 GLU C C 175.01 0.05 1 1555 . 162 GLU CA C 56.38 0.05 1 1556 . 162 GLU CB C 30.63 0.05 1 1557 . 162 GLU CG C 36.30 0.05 1 1558 . 162 GLU N N 121.20 0.05 1 1559 . 163 ALA HA H 4.11 0.01 1 1560 . 163 ALA HB H 1.32 0.01 1 1561 . 163 ALA H H 7.88 0.01 1 1562 . 163 ALA CA C 53.89 0.05 1 1563 . 163 ALA CB C 20.34 0.05 1 1564 . 163 ALA N N 130.74 0.05 1 stop_ save_