data_6645 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone and side chain resonance assignments of Haloferax volcanii DHFR1 ; _BMRB_accession_number 6645 _BMRB_flat_file_name bmr6645.str _Entry_type original _Submission_date 2005-05-23 _Accession_date 2005-05-23 _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 Binbuga Bulent . . 2 Young John K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 772 "13C chemical shifts" 599 "15N chemical shifts" 147 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-12-14 original author . stop_ _Original_release_date 2005-12-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N backbone and side chain resonance assignments of Haloferax volcanii DHFR1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16341756 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Binbuga Bulent . . 2 Young John K. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 33 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 281 _Page_last 281 _Year 2005 _Details . loop_ _Keyword DHFR 'Haloferax volcanii' 'halophilic enzyme' 'NMR chemical shift' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hv-DHFR1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Haloferax_volcanii_Dihydrofolate_reductase $hv-DHFR1 stop_ _System_molecular_weight 17195 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'catalyzes the reduction of dihyrofolate(DHFR) to tetrahydrofolate (THF)' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_hv-DHFR1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Haloferax volcanii Dihydrofolate reductase (hv-DHFR1)' _Molecular_mass 17195 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 162 _Mol_residue_sequence ; MELVSVAALAENRVIGRDGE LPWPSIPADKKQYRSRVADD PVVLGRTTFESMRDDLPGSA QIVMSRSERSFSVDTAHRAA SVEEAVDIAASLDAETAYVI GGAAIYALFQPHLDRMVLSR VPGEYEGDTYYPEWDAAEWE LDAETDHEGFTLQEWVRSAS SR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 LEU 4 VAL 5 SER 6 VAL 7 ALA 8 ALA 9 LEU 10 ALA 11 GLU 12 ASN 13 ARG 14 VAL 15 ILE 16 GLY 17 ARG 18 ASP 19 GLY 20 GLU 21 LEU 22 PRO 23 TRP 24 PRO 25 SER 26 ILE 27 PRO 28 ALA 29 ASP 30 LYS 31 LYS 32 GLN 33 TYR 34 ARG 35 SER 36 ARG 37 VAL 38 ALA 39 ASP 40 ASP 41 PRO 42 VAL 43 VAL 44 LEU 45 GLY 46 ARG 47 THR 48 THR 49 PHE 50 GLU 51 SER 52 MET 53 ARG 54 ASP 55 ASP 56 LEU 57 PRO 58 GLY 59 SER 60 ALA 61 GLN 62 ILE 63 VAL 64 MET 65 SER 66 ARG 67 SER 68 GLU 69 ARG 70 SER 71 PHE 72 SER 73 VAL 74 ASP 75 THR 76 ALA 77 HIS 78 ARG 79 ALA 80 ALA 81 SER 82 VAL 83 GLU 84 GLU 85 ALA 86 VAL 87 ASP 88 ILE 89 ALA 90 ALA 91 SER 92 LEU 93 ASP 94 ALA 95 GLU 96 THR 97 ALA 98 TYR 99 VAL 100 ILE 101 GLY 102 GLY 103 ALA 104 ALA 105 ILE 106 TYR 107 ALA 108 LEU 109 PHE 110 GLN 111 PRO 112 HIS 113 LEU 114 ASP 115 ARG 116 MET 117 VAL 118 LEU 119 SER 120 ARG 121 VAL 122 PRO 123 GLY 124 GLU 125 TYR 126 GLU 127 GLY 128 ASP 129 THR 130 TYR 131 TYR 132 PRO 133 GLU 134 TRP 135 ASP 136 ALA 137 ALA 138 GLU 139 TRP 140 GLU 141 LEU 142 ASP 143 ALA 144 GLU 145 THR 146 ASP 147 HIS 148 GLU 149 GLY 150 PHE 151 THR 152 LEU 153 GLN 154 GLU 155 TRP 156 VAL 157 ARG 158 SER 159 ALA 160 SER 161 SER 162 ARG 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 BMRB 15253 hvDHFR1 100.00 162 100.00 100.00 2.84e-111 PDB 1VDR "Dihydrofolate Reductase" 100.00 162 99.38 100.00 4.54e-111 PDB 2ITH "Nmr Structure Of Haloferax Volcanii Dhfr" 100.00 162 100.00 100.00 2.84e-111 PDB 2JYB "Binary Hvdhfr1:folate Complex" 100.00 162 100.00 100.00 2.84e-111 GB AAA72219 "dihydrofolate reductase [Haloferax volcanii DS2]" 100.00 162 99.38 100.00 4.54e-111 GB ADE04659 "dihydrofolate reductase [Haloferax volcanii DS2]" 100.00 162 99.38 100.00 4.54e-111 GB ELK54743 "dihydrofolate reductase [Haloferax sp. BAB2207]" 100.00 162 97.53 100.00 3.51e-109 GB ELY28035 "dihydrofolate reductase [Haloferax volcanii DS2]" 100.00 162 99.38 100.00 4.54e-111 GB ELZ74269 "dihydrofolate reductase [Haloferax lucentense DSM 14919]" 100.00 162 97.53 100.00 3.51e-109 REF WP_004043660 "dihydrofolate reductase [Haloferax volcanii]" 100.00 162 99.38 100.00 4.54e-111 REF WP_004063628 "MULTISPECIES: dihydrofolate reductase [Haloferax]" 100.00 162 97.53 100.00 3.51e-109 REF YP_003535331 "dihydrofolate reductase [Haloferax volcanii DS2]" 100.00 162 99.38 100.00 4.54e-111 SP P15093 "RecName: Full=Dihydrofolate reductase HdrA; Short=DHFR A; Short=hDHFR-1 [Haloferax volcanii DS2]" 100.00 162 99.38 100.00 4.54e-111 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hv-DHFR1 'Haloferax volcanii' 2246 Archaea . Haloferax volcanii 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 _Vendor_name $hv-DHFR1 'recombinant technology' 'E. coli' . . Rosetta pET-11d Novagen stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $hv-DHFR1 2 mM '[U-1H; U-13C; U-15N]' NaCl 3.5 mM . 'Tris buffer' 10 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_(example)_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H15N_HSQC (example)' _Sample_label $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 save_ save_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 save_ save_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 save_ save_CBCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 save_ save_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 save_ save_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 save_ save_CCC-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCC-TOCSY _Sample_label $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 save_ save_HCC-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCC-TOCSY _Sample_label $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 save_ ####################### # Sample conditions # ####################### save_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.010 0.001 M pH 7.0 0.02 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _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_ _Sample_label $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 stop_ _Sample_conditions_label $3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name Haloferax_volcanii_Dihydrofolate_reductase _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.25 0.01 1 2 1 1 MET HB2 H 2.13 0.01 2 3 1 1 MET HB3 H 2.30 0.01 2 4 1 1 MET HG2 H 2.51 0.01 2 5 1 1 MET HG3 H 2.76 0.01 2 6 1 1 MET C C 172.31 0.3 1 7 1 1 MET CA C 54.77 0.3 1 8 1 1 MET CB C 25.91 0.3 1 9 1 1 MET CG C 30.28 0.3 1 10 2 2 GLU H H 8.47 0.01 1 11 2 2 GLU HA H 5.08 0.01 1 12 2 2 GLU HB2 H 2.24 0.01 1 13 2 2 GLU HB3 H 2.24 0.01 1 14 2 2 GLU HG2 H 2.48 0.01 2 15 2 2 GLU HG3 H 2.78 0.01 2 16 2 2 GLU C C 174.35 0.3 1 17 2 2 GLU CA C 54.77 0.3 1 18 2 2 GLU CB C 31.76 0.3 1 19 2 2 GLU N N 126.51 0.5 1 20 3 3 LEU H H 9.91 0.01 1 21 3 3 LEU HA H 5.28 0.01 1 22 3 3 LEU HB2 H 1.86 0.01 1 23 3 3 LEU HB3 H 1.86 0.01 1 24 3 3 LEU HG H 1.56 0.01 1 25 3 3 LEU HD1 H 1.12 0.01 1 26 3 3 LEU HD2 H 0.96 0.01 1 27 3 3 LEU C C 176.83 0.3 1 28 3 3 LEU CA C 53.53 0.3 1 29 3 3 LEU CB C 44.14 0.3 1 30 3 3 LEU CG C 26.49 0.3 1 31 3 3 LEU CD1 C 25.04 0.3 2 32 3 3 LEU CD2 C 23.03 0.3 2 33 3 3 LEU N N 125.69 0.5 1 34 4 4 VAL H H 8.64 0.01 1 35 4 4 VAL HA H 5.53 0.01 1 36 4 4 VAL HB H 1.99 0.01 1 37 4 4 VAL HG1 H 1.17 0.01 2 38 4 4 VAL HG2 H 0.93 0.01 2 39 4 4 VAL C C 176.76 0.3 1 40 4 4 VAL CA C 59.95 0.3 1 41 4 4 VAL CB C 35.37 0.3 1 42 4 4 VAL CG1 C 20.91 0.3 1 43 4 4 VAL CG2 C 20.91 0.3 1 44 4 4 VAL N N 125.65 0.5 1 45 5 5 SER H H 8.80 0.01 1 46 5 5 SER HA H 5.06 0.01 1 47 5 5 SER HB2 H 4.37 0.01 1 48 5 5 SER HB3 H 4.37 0.01 1 49 5 5 SER C C 173.35 0.3 1 50 5 5 SER CA C 56.87 0.3 1 51 5 5 SER CB C 64.74 0.3 1 52 5 5 SER N N 122.49 0.5 1 53 6 6 VAL H H 8.60 0.01 1 54 6 6 VAL HA H 5.50 0.01 1 55 6 6 VAL HB H 2.26 0.01 1 56 6 6 VAL HG1 H 0.10 0.01 2 57 6 6 VAL HG2 H 1.12 0.01 2 58 6 6 VAL C C 175.79 0.3 1 59 6 6 VAL CA C 60.80 0.3 1 60 6 6 VAL CB C 33.85 0.3 1 61 6 6 VAL CG1 C 22.20 0.3 2 62 6 6 VAL CG2 C 22.46 0.3 2 63 6 6 VAL N N 119.85 0.5 1 64 7 7 ALA H H 8.46 0.01 1 65 7 7 ALA HA H 4.87 0.01 1 66 7 7 ALA HB H 1.05 0.01 1 67 7 7 ALA C C 173.73 0.3 1 68 7 7 ALA CA C 51.74 0.3 1 69 7 7 ALA CB C 24.51 0.3 1 70 7 7 ALA N N 127.98 0.5 1 71 8 8 ALA H H 8.19 0.01 1 72 8 8 ALA HA H 4.67 0.01 1 73 8 8 ALA HB H 1.59 0.01 1 74 8 8 ALA C C 175.23 0.3 1 75 8 8 ALA CA C 50.62 0.3 1 76 8 8 ALA CB C 20.66 0.3 1 77 8 8 ALA N N 123.55 0.5 1 78 9 9 LEU H H 8.99 0.01 1 79 9 9 LEU HA H 5.56 0.01 1 80 9 9 LEU HB2 H 1.91 0.01 1 81 9 9 LEU HB3 H 1.91 0.01 1 82 9 9 LEU HG H 1.17 0.01 1 83 9 9 LEU HD1 H 0.80 0.01 2 84 9 9 LEU HD2 H -0.08 0.01 2 85 9 9 LEU CA C 53.80 0.3 1 86 9 9 LEU CB C 45.12 0.3 1 87 9 9 LEU CG C 26.71 0.3 1 88 9 9 LEU CD1 C 23.70 0.3 2 89 9 9 LEU CD2 C 19.03 0.3 2 90 9 9 LEU N N 119.98 0.5 1 91 11 11 GLU HA H 4.23 0.01 1 92 11 11 GLU HB2 H 2.17 0.01 1 93 11 11 GLU HB3 H 2.17 0.01 1 94 11 11 GLU HG2 H 2.25 0.01 2 95 11 11 GLU HG3 H 2.32 0.01 2 96 11 11 GLU C C 174.93 0.3 1 97 11 11 GLU CA C 54.81 0.3 1 98 11 11 GLU CB C 31.53 0.3 1 99 11 11 GLU CG C 33.02 0.3 1 100 12 12 ASN H H 8.40 0.01 1 101 12 12 ASN HA H 4.50 0.01 1 102 12 12 ASN HB2 H 3.01 0.01 2 103 12 12 ASN HB3 H 3.51 0.01 2 104 12 12 ASN CA C 54.92 0.3 1 105 12 12 ASN CB C 41.42 0.3 1 106 12 12 ASN N N 118.50 0.5 1 107 13 13 ARG HA H 4.02 0.01 1 108 13 13 ARG C C 174.49 0.3 1 109 13 13 ARG CA C 58.75 0.3 1 110 14 14 VAL H H 7.13 0.01 1 111 14 14 VAL HA H 4.00 0.01 1 112 14 14 VAL HB H 2.56 0.01 1 113 14 14 VAL HG1 H 0.84 0.01 2 114 14 14 VAL HG2 H 1.09 0.01 2 115 14 14 VAL C C 176.58 0.3 1 116 14 14 VAL CA C 63.87 0.3 1 117 14 14 VAL CB C 32.88 0.3 1 118 14 14 VAL CG1 C 20.26 0.3 2 119 14 14 VAL CG2 C 18.97 0.3 2 120 14 14 VAL N N 119.89 0.5 1 121 15 15 ILE H H 8.31 0.01 1 122 15 15 ILE HA H 4.26 0.01 1 123 15 15 ILE HB H 2.50 0.01 1 124 15 15 ILE HG12 H 1.57 0.01 2 125 15 15 ILE HG13 H 1.98 0.01 2 126 15 15 ILE HD1 H 1.07 0.01 1 127 15 15 ILE C C 176.37 0.3 1 128 15 15 ILE CA C 59.29 0.3 1 129 15 15 ILE CG1 C 25.73 0.3 2 130 15 15 ILE CG2 C 17.06 0.3 2 131 15 15 ILE CD1 C 11.17 0.3 1 132 15 15 ILE N N 115.72 0.5 1 133 16 16 GLY H H 8.40 0.01 1 134 16 16 GLY HA2 H 4.26 0.01 1 135 16 16 GLY HA3 H 4.26 0.01 1 136 16 16 GLY C C 175.17 0.3 1 137 16 16 GLY CA C 45.71 0.3 1 138 16 16 GLY N N 108.80 0.5 1 139 17 17 ARG H H 8.65 0.01 1 140 17 17 ARG HA H 5.31 0.01 1 141 17 17 ARG CA C 53.45 0.3 1 142 17 17 ARG N N 125.96 0.5 1 143 18 18 ASP HA H 4.33 0.01 1 144 18 18 ASP HB2 H 2.68 0.01 2 145 18 18 ASP HB3 H 3.15 0.01 2 146 18 18 ASP C C 176.04 0.3 1 147 18 18 ASP CB C 40.04 0.3 1 148 19 19 GLY H H 9.00 0.01 1 149 19 19 GLY HA2 H 3.82 0.01 2 150 19 19 GLY HA3 H 4.54 0.01 2 151 19 19 GLY C C 174.19 0.3 1 152 19 19 GLY CA C 45.35 0.3 1 153 19 19 GLY N N 105.33 0.5 1 154 20 20 GLU H H 7.95 0.01 1 155 20 20 GLU HA H 4.39 0.01 1 156 20 20 GLU HB2 H 2.01 0.01 2 157 20 20 GLU HB3 H 2.16 0.01 2 158 20 20 GLU HG2 H 2.37 0.01 1 159 20 20 GLU HG3 H 2.37 0.01 1 160 20 20 GLU C C 175.74 0.3 1 161 20 20 GLU CA C 53.69 0.3 1 162 20 20 GLU CB C 31.69 0.3 1 163 20 20 GLU CG C 35.50 0.3 1 164 20 20 GLU N N 119.66 0.5 1 165 21 21 LEU H H 8.55 0.01 1 166 21 21 LEU HA H 4.53 0.01 1 167 21 21 LEU HB2 H 1.73 0.01 1 168 21 21 LEU HB3 H 1.73 0.01 1 169 21 21 LEU HG H 1.49 0.01 1 170 21 21 LEU HD1 H 0.87 0.01 2 171 21 21 LEU HD2 H 1.05 0.01 2 172 21 21 LEU CA C 52.43 0.3 1 173 21 21 LEU CB C 41.41 0.3 1 174 21 21 LEU CG C 25.52 0.3 1 175 21 21 LEU CD1 C 24.89 0.3 2 176 21 21 LEU CD2 C 26.74 0.3 2 177 21 21 LEU N N 124.05 0.5 1 178 22 22 PRO HA H 4.55 0.01 1 179 22 22 PRO HB2 H 2.56 0.01 2 180 22 22 PRO HB3 H 2.36 0.01 2 181 22 22 PRO HG2 H 2.02 0.01 1 182 22 22 PRO HG3 H 2.02 0.01 1 183 22 22 PRO HD2 H 3.93 0.01 2 184 22 22 PRO HD3 H 4.09 0.01 2 185 22 22 PRO C C 177.73 0.3 1 186 22 22 PRO CA C 65.57 0.3 1 187 22 22 PRO CB C 25.44 0.3 1 188 22 22 PRO CG C 26.07 0.3 1 189 22 22 PRO CD C 46.83 0.3 1 190 23 23 TRP H H 8.80 0.01 1 191 23 23 TRP HA H 4.55 0.01 1 192 23 23 TRP HB2 H 3.00 0.01 2 193 23 23 TRP HB3 H 3.48 0.01 2 194 23 23 TRP CA C 57.71 0.3 1 195 23 23 TRP CB C 32.26 0.3 1 196 23 23 TRP N N 123.22 0.5 1 197 24 24 PRO HA H 4.58 0.01 1 198 24 24 PRO HB2 H 2.56 0.01 2 199 24 24 PRO HB3 H 2.02 0.01 2 200 24 24 PRO HG2 H 2.31 0.01 1 201 24 24 PRO HG3 H 2.31 0.01 1 202 24 24 PRO HD2 H 3.59 0.01 2 203 24 24 PRO HD3 H 3.76 0.01 2 204 24 24 PRO C C 176.59 0.3 1 205 24 24 PRO CA C 62.59 0.3 1 206 24 24 PRO CB C 31.40 0.3 1 207 24 24 PRO CG C 25.32 0.3 1 208 24 24 PRO CD C 51.50 0.3 1 209 25 25 SER H H 8.29 0.01 1 210 25 25 SER HA H 4.27 0.01 1 211 25 25 SER HB2 H 4.00 0.01 1 212 25 25 SER HB3 H 4.00 0.01 1 213 25 25 SER C C 174.66 0.3 1 214 25 25 SER CA C 59.54 0.3 1 215 25 25 SER CB C 63.39 0.3 1 216 25 25 SER N N 115.72 0.5 1 217 26 26 ILE H H 8.99 0.01 1 218 26 26 ILE HA H 4.55 0.01 1 219 26 26 ILE HB H 2.03 0.01 1 220 26 26 ILE HG12 H 1.27 0.01 1 221 26 26 ILE HG13 H 1.27 0.01 1 222 26 26 ILE HG2 H 0.90 0.01 1 223 26 26 ILE HD1 H 0.86 0.01 1 224 26 26 ILE CA C 58.70 0.3 1 225 26 26 ILE CB C 39.10 0.3 1 226 26 26 ILE CG1 C 26.56 0.3 2 227 26 26 ILE CG2 C 16.84 0.3 1 228 26 26 ILE CD1 C 14.24 0.3 1 229 26 26 ILE N N 126.15 0.5 1 230 27 27 PRO HA H 4.47 0.01 1 231 27 27 PRO HB2 H 2.23 0.01 1 232 27 27 PRO HB3 H 2.23 0.01 1 233 27 27 PRO HG2 H 1.77 0.01 1 234 27 27 PRO HG3 H 1.77 0.01 1 235 27 27 PRO HD2 H 3.95 0.01 1 236 27 27 PRO HD3 H 3.95 0.01 1 237 27 27 PRO C C 179.18 0.3 1 238 27 27 PRO CA C 64.89 0.3 1 239 27 27 PRO CB C 28.20 0.3 1 240 27 27 PRO CG C 26.05 0.3 1 241 27 27 PRO CD C 51.10 0.3 1 242 28 28 ALA H H 9.01 0.01 1 243 28 28 ALA HA H 4.22 0.01 1 244 28 28 ALA HB H 1.94 0.01 1 245 28 28 ALA C C 180.71 0.3 1 246 28 28 ALA CA C 54.94 0.3 1 247 28 28 ALA CB C 19.05 0.3 1 248 28 28 ALA N N 117.97 0.5 1 249 29 29 ASP H H 7.68 0.01 1 250 29 29 ASP HA H 4.45 0.01 1 251 29 29 ASP HB2 H 2.48 0.01 1 252 29 29 ASP HB3 H 2.48 0.01 1 253 29 29 ASP C C 177.23 0.3 1 254 29 29 ASP CA C 56.21 0.3 1 255 29 29 ASP CB C 38.85 0.3 1 256 29 29 ASP N N 119.25 0.5 1 257 30 30 LYS H H 7.58 0.01 1 258 30 30 LYS HA H 4.22 0.01 1 259 30 30 LYS HB2 H 2.04 0.01 2 260 30 30 LYS HB3 H 1.87 0.01 2 261 30 30 LYS HG2 H 1.65 0.01 1 262 30 30 LYS HG3 H 1.65 0.01 1 263 30 30 LYS HD2 H 2.02 0.01 1 264 30 30 LYS HD3 H 2.02 0.01 1 265 30 30 LYS HE2 H 3.17 0.01 1 266 30 30 LYS HE3 H 3.17 0.01 1 267 30 30 LYS C C 178.60 0.3 1 268 30 30 LYS CA C 59.05 0.3 1 269 30 30 LYS CB C 31.30 0.3 1 270 30 30 LYS CG C 26.26 0.3 1 271 30 30 LYS N N 119.29 0.5 1 272 31 31 LYS H H 8.15 0.01 1 273 31 31 LYS HA H 3.55 0.01 1 274 31 31 LYS HB2 H 2.44 0.01 1 275 31 31 LYS HB3 H 2.44 0.01 1 276 31 31 LYS HG2 H 2.01 0.01 1 277 31 31 LYS HG3 H 2.01 0.01 1 278 31 31 LYS HD2 H 2.16 0.01 1 279 31 31 LYS HD3 H 2.16 0.01 1 280 31 31 LYS HE2 H 3.11 0.01 1 281 31 31 LYS HE3 H 3.11 0.01 1 282 31 31 LYS C C 179.68 0.3 1 283 31 31 LYS CA C 59.15 0.3 1 284 31 31 LYS CB C 32.09 0.3 1 285 31 31 LYS CG C 22.85 0.3 1 286 31 31 LYS CD C 26.86 0.3 1 287 31 31 LYS CE C 41.02 0.3 1 288 31 31 LYS N N 116.05 0.5 1 289 32 32 GLN H H 7.72 0.01 1 290 32 32 GLN HA H 3.66 0.01 1 291 32 32 GLN HB2 H 1.73 0.01 2 292 32 32 GLN HB3 H 1.96 0.01 2 293 32 32 GLN HG2 H 2.77 0.01 1 294 32 32 GLN HG3 H 2.77 0.01 1 295 32 32 GLN C C 177.70 0.3 1 296 32 32 GLN CA C 58.12 0.3 1 297 32 32 GLN CB C 31.58 0.3 1 298 32 32 GLN CG C 29.89 0.3 1 299 32 32 GLN N N 118.35 0.5 1 300 33 33 TYR H H 8.52 0.01 1 301 33 33 TYR HA H 4.14 0.01 1 302 33 33 TYR HB2 H 3.28 0.01 2 303 33 33 TYR HB3 H 3.23 0.01 2 304 33 33 TYR C C 176.23 0.3 1 305 33 33 TYR CA C 60.35 0.3 1 306 33 33 TYR CB C 37.74 0.3 1 307 33 33 TYR N N 124.14 0.5 1 308 34 34 ARG H H 8.17 0.01 1 309 34 34 ARG HA H 4.36 0.01 1 310 34 34 ARG HB2 H 2.02 0.01 1 311 34 34 ARG HB3 H 2.02 0.01 1 312 34 34 ARG HG2 H 1.76 0.01 1 313 34 34 ARG HG3 H 1.76 0.01 1 314 34 34 ARG HD2 H 3.44 0.01 1 315 34 34 ARG HD3 H 3.44 0.01 1 316 34 34 ARG C C 179.50 0.3 1 317 34 34 ARG CA C 57.60 0.3 1 318 34 34 ARG CB C 28.33 0.3 1 319 34 34 ARG CG C 27.35 0.3 1 320 34 34 ARG CD C 41.50 0.3 1 321 34 34 ARG N N 116.85 0.5 1 322 35 35 SER H H 7.83 0.01 1 323 35 35 SER HA H 4.11 0.01 1 324 35 35 SER HB2 H 3.71 0.01 1 325 35 35 SER HB3 H 3.71 0.01 1 326 35 35 SER C C 176.75 0.3 1 327 35 35 SER CA C 60.78 0.3 1 328 35 35 SER CB C 63.07 0.3 1 329 35 35 SER N N 111.85 0.5 1 330 36 36 ARG H H 8.13 0.01 1 331 36 36 ARG HA H 4.40 0.01 1 332 36 36 ARG HB2 H 1.82 0.01 2 333 36 36 ARG HB3 H 2.06 0.01 2 334 36 36 ARG HG2 H 1.16 0.01 1 335 36 36 ARG HG3 H 1.16 0.01 1 336 36 36 ARG HD2 H 3.21 0.01 1 337 36 36 ARG HD3 H 3.21 0.01 1 338 36 36 ARG C C 177.99 0.3 1 339 36 36 ARG CA C 58.47 0.3 1 340 36 36 ARG CB C 29.89 0.3 1 341 36 36 ARG CG C 26.79 0.3 1 342 36 36 ARG CD C 42.19 0.3 1 343 36 36 ARG N N 121.54 0.5 1 344 37 37 VAL H H 6.93 0.01 1 345 37 37 VAL HA H 4.15 0.01 1 346 37 37 VAL HB H 1.38 0.01 1 347 37 37 VAL HG1 H 0.15 0.01 2 348 37 37 VAL HG2 H 0.55 0.01 2 349 37 37 VAL C C 175.89 0.3 1 350 37 37 VAL CA C 60.66 0.3 1 351 37 37 VAL CB C 30.15 0.3 1 352 37 37 VAL CG1 C 14.77 0.3 2 353 37 37 VAL CG2 C 14.33 0.3 2 354 37 37 VAL N N 107.75 0.5 1 355 38 38 ALA H H 6.83 0.01 1 356 38 38 ALA HA H 4.12 0.01 1 357 38 38 ALA HB H 1.64 0.01 1 358 38 38 ALA C C 178.35 0.3 1 359 38 38 ALA CA C 55.38 0.3 1 360 38 38 ALA CB C 19.54 0.3 1 361 38 38 ALA N N 119.01 0.5 1 362 39 39 ASP H H 8.74 0.01 1 363 39 39 ASP HA H 5.08 0.01 1 364 39 39 ASP HB2 H 3.12 0.01 2 365 39 39 ASP HB3 H 2.64 0.01 2 366 39 39 ASP C C 174.92 0.3 1 367 39 39 ASP CA C 53.83 0.3 1 368 39 39 ASP CB C 42.60 0.3 1 369 39 39 ASP N N 113.31 0.5 1 370 40 40 ASP H H 7.91 0.01 1 371 40 40 ASP HA H 4.82 0.01 1 372 40 40 ASP HB2 H 2.75 0.01 1 373 40 40 ASP HB3 H 2.75 0.01 1 374 40 40 ASP CA C 53.90 0.3 1 375 40 40 ASP CB C 44.80 0.3 1 376 40 40 ASP N N 122.14 0.5 1 377 41 41 PRO HA H 5.11 0.01 1 378 41 41 PRO HB2 H 2.25 0.01 2 379 41 41 PRO HB3 H 1.97 0.01 2 380 41 41 PRO HG2 H 1.56 0.01 2 381 41 41 PRO HG3 H 1.27 0.01 2 382 41 41 PRO HD2 H 3.75 0.01 1 383 41 41 PRO HD3 H 3.75 0.01 1 384 41 41 PRO C C 175.74 0.3 1 385 41 41 PRO CA C 62.72 0.3 1 386 41 41 PRO CB C 31.10 0.3 1 387 41 41 PRO CG C 26.45 0.3 1 388 41 41 PRO CD C 49.26 0.3 1 389 42 42 VAL H H 8.54 0.01 1 390 42 42 VAL HA H 5.80 0.01 1 391 42 42 VAL HB H 2.23 0.01 1 392 42 42 VAL HG1 H 1.09 0.01 2 393 42 42 VAL HG2 H 0.88 0.01 2 394 42 42 VAL C C 174.19 0.3 1 395 42 42 VAL CA C 57.86 0.3 1 396 42 42 VAL CB C 34.22 0.3 1 397 42 42 VAL CG1 C 22.48 0.3 2 398 42 42 VAL CG2 C 20.48 0.3 2 399 42 42 VAL N N 114.27 0.5 1 400 43 43 VAL H H 9.64 0.01 1 401 43 43 VAL HA H 5.22 0.01 1 402 43 43 VAL HB H 1.64 0.01 1 403 43 43 VAL HG1 H 0.69 0.01 2 404 43 43 VAL HG2 H 0.71 0.01 2 405 43 43 VAL C C 174.58 0.3 1 406 43 43 VAL CA C 60.38 0.3 1 407 43 43 VAL CB C 32.45 0.3 1 408 43 43 VAL CG1 C 21.86 0.3 2 409 43 43 VAL CG2 C 20.80 0.3 2 410 43 43 VAL N N 124.99 0.5 1 411 44 44 LEU H H 8.93 0.01 1 412 44 44 LEU HA H 5.66 0.01 1 413 44 44 LEU HB2 H 1.96 0.01 1 414 44 44 LEU HB3 H 1.96 0.01 1 415 44 44 LEU HG H 1.31 0.01 1 416 44 44 LEU HD1 H 0.92 0.01 2 417 44 44 LEU HD2 H 0.98 0.01 2 418 44 44 LEU C C 175.59 0.3 1 419 44 44 LEU CA C 53.45 0.3 1 420 44 44 LEU CB C 43.82 0.3 1 421 44 44 LEU CG C 27.10 0.3 1 422 44 44 LEU CD1 C 18.64 0.3 2 423 44 44 LEU CD2 C 18.95 0.3 2 424 44 44 LEU N N 125.37 0.5 1 425 45 45 GLY H H 8.86 0.01 1 426 45 45 GLY HA2 H 4.44 0.01 2 427 45 45 GLY HA3 H 4.82 0.01 2 428 45 45 GLY C C 174.74 0.3 1 429 45 45 GLY CA C 44.90 0.3 1 430 45 45 GLY N N 107.12 0.5 1 431 46 46 ARG H H 8.74 0.01 1 432 46 46 ARG HA H 4.35 0.01 1 433 46 46 ARG HB2 H 2.30 0.01 2 434 46 46 ARG HB3 H 2.07 0.01 2 435 46 46 ARG HG2 H 1.94 0.01 1 436 46 46 ARG HG3 H 1.94 0.01 1 437 46 46 ARG HD2 H 3.53 0.01 1 438 46 46 ARG HD3 H 3.53 0.01 1 439 46 46 ARG C C 176.37 0.3 1 440 46 46 ARG CA C 60.27 0.3 1 441 46 46 ARG CB C 30.00 0.3 1 442 46 46 ARG CG C 27.45 0.3 1 443 46 46 ARG CD C 43.70 0.3 1 444 46 46 ARG N N 120.29 0.5 1 445 47 47 THR H H 8.80 0.01 1 446 47 47 THR HA H 4.29 0.01 1 447 47 47 THR HB H 4.05 0.01 1 448 47 47 THR HG2 H 1.48 0.01 1 449 47 47 THR C C 177.34 0.3 1 450 47 47 THR CA C 66.88 0.3 1 451 47 47 THR CB C 67.65 0.3 1 452 47 47 THR CG2 C 21.82 0.3 1 453 47 47 THR N N 116.06 0.5 1 454 48 48 THR H H 8.14 0.01 1 455 48 48 THR HA H 4.10 0.01 1 456 48 48 THR HB H 4.27 0.01 1 457 48 48 THR HG2 H 0.98 0.01 1 458 48 48 THR C C 175.99 0.3 1 459 48 48 THR CA C 67.23 0.3 1 460 48 48 THR CB C 67.46 0.3 1 461 48 48 THR CG2 C 22.42 0.3 1 462 48 48 THR N N 122.45 0.5 1 463 49 49 PHE H H 8.77 0.01 1 464 49 49 PHE HA H 4.05 0.01 1 465 49 49 PHE HB2 H 3.51 0.01 2 466 49 49 PHE HB3 H 3.00 0.01 2 467 49 49 PHE C C 176.32 0.3 1 468 49 49 PHE CA C 62.34 0.3 1 469 49 49 PHE CB C 38.93 0.3 1 470 49 49 PHE N N 123.12 0.5 1 471 50 50 GLU H H 8.71 0.01 1 472 50 50 GLU HA H 3.99 0.01 1 473 50 50 GLU HB2 H 2.31 0.01 1 474 50 50 GLU HB3 H 2.31 0.01 1 475 50 50 GLU HG2 H 2.73 0.01 1 476 50 50 GLU HG3 H 2.73 0.01 1 477 50 50 GLU C C 180.00 0.3 1 478 50 50 GLU CA C 59.00 0.3 1 479 50 50 GLU CB C 28.62 0.3 1 480 50 50 GLU CG C 31.35 0.3 1 481 50 50 GLU N N 116.25 0.5 1 482 51 51 SER H H 8.11 0.01 1 483 51 51 SER HA H 4.51 0.01 1 484 51 51 SER HB2 H 4.25 0.01 1 485 51 51 SER HB3 H 4.25 0.01 1 486 51 51 SER C C 175.60 0.3 1 487 51 51 SER CA C 60.62 0.3 1 488 51 51 SER CB C 63.15 0.3 1 489 51 51 SER N N 114.33 0.5 1 490 52 52 MET H H 7.71 0.01 1 491 52 52 MET HA H 4.07 0.01 1 492 52 52 MET HB2 H 1.59 0.01 1 493 52 52 MET HB3 H 1.59 0.01 1 494 52 52 MET HG2 H 1.80 0.01 1 495 52 52 MET HG3 H 1.80 0.01 1 496 52 52 MET HE H 2.25 0.01 1 497 52 52 MET C C 176.93 0.3 1 498 52 52 MET CA C 55.58 0.3 1 499 52 52 MET CB C 33.27 0.3 1 500 52 52 MET CE C 15.10 0.3 1 501 52 52 MET N N 119.05 0.5 1 502 53 53 ARG H H 7.05 0.01 1 503 53 53 ARG HA H 4.31 0.01 1 504 53 53 ARG HB2 H 1.89 0.01 2 505 53 53 ARG HB3 H 1.81 0.01 2 506 53 53 ARG HG2 H 1.63 0.01 1 507 53 53 ARG HG3 H 1.63 0.01 1 508 53 53 ARG HD2 H 3.29 0.01 1 509 53 53 ARG HD3 H 3.29 0.01 1 510 53 53 ARG C C 176.57 0.3 1 511 53 53 ARG CA C 58.97 0.3 1 512 53 53 ARG CB C 29.82 0.3 1 513 53 53 ARG CG C 26.80 0.3 1 514 53 53 ARG CD C 43.33 0.3 1 515 53 53 ARG N N 119.26 0.5 1 516 54 54 ASP H H 8.54 0.01 1 517 54 54 ASP HA H 4.40 0.01 1 518 54 54 ASP HB2 H 2.68 0.01 1 519 54 54 ASP HB3 H 2.68 0.01 1 520 54 54 ASP C C 175.86 0.3 1 521 54 54 ASP CA C 54.94 0.3 1 522 54 54 ASP CB C 40.24 0.3 1 523 54 54 ASP N N 116.32 0.5 1 524 55 55 ASP H H 8.22 0.01 1 525 55 55 ASP HA H 4.79 0.01 1 526 55 55 ASP HB2 H 3.43 0.01 1 527 55 55 ASP HB3 H 3.43 0.01 1 528 55 55 ASP C C 174.96 0.3 1 529 55 55 ASP CA C 53.57 0.3 1 530 55 55 ASP CB C 40.03 0.3 1 531 55 55 ASP N N 121.15 0.5 1 532 56 56 LEU H H 8.69 0.01 1 533 56 56 LEU HA H 4.38 0.01 1 534 56 56 LEU HB2 H 1.82 0.01 1 535 56 56 LEU HB3 H 1.82 0.01 1 536 56 56 LEU HG H 1.19 0.01 1 537 56 56 LEU HD1 H 0.91 0.01 2 538 56 56 LEU HD2 H 0.58 0.01 2 539 56 56 LEU CA C 59.98 0.3 1 540 56 56 LEU CB C 41.88 0.3 1 541 56 56 LEU CG C 28.69 0.3 1 542 56 56 LEU CD1 C 26.09 0.3 2 543 56 56 LEU CD2 C 25.03 0.3 2 544 56 56 LEU N N 125.84 0.5 1 545 57 57 PRO HA H 4.94 0.01 1 546 57 57 PRO HB2 H 2.06 0.01 1 547 57 57 PRO HB3 H 2.06 0.01 1 548 57 57 PRO HG2 H 1.60 0.01 1 549 57 57 PRO HG3 H 1.60 0.01 1 550 57 57 PRO HD2 H 3.73 0.01 1 551 57 57 PRO HD3 H 3.73 0.01 1 552 57 57 PRO C C 176.01 0.3 1 553 57 57 PRO CA C 61.89 0.3 1 554 57 57 PRO CB C 32.86 0.3 1 555 57 57 PRO CG C 28.35 0.3 1 556 57 57 PRO CD C 50.38 0.3 1 557 58 58 GLY H H 7.56 0.01 1 558 58 58 GLY HA2 H 4.57 0.01 2 559 58 58 GLY HA3 H 4.17 0.01 2 560 58 58 GLY C C 174.95 0.3 1 561 58 58 GLY CA C 45.10 0.3 1 562 58 58 GLY N N 102.73 0.5 1 563 59 59 SER H H 8.50 0.01 1 564 59 59 SER HA H 5.00 0.01 1 565 59 59 SER HB2 H 4.55 0.01 1 566 59 59 SER HB3 H 4.55 0.01 1 567 59 59 SER C C 175.23 0.3 1 568 59 59 SER CA C 58.62 0.3 1 569 59 59 SER CB C 62.20 0.3 1 570 59 59 SER N N 113.30 0.5 1 571 60 60 ALA H H 7.84 0.01 1 572 60 60 ALA HA H 4.80 0.01 1 573 60 60 ALA HB H 1.55 0.01 1 574 60 60 ALA C C 175.54 0.3 1 575 60 60 ALA CA C 51.21 0.3 1 576 60 60 ALA CB C 22.61 0.3 1 577 60 60 ALA N N 122.99 0.5 1 578 61 61 GLN H H 8.87 0.01 1 579 61 61 GLN HA H 5.30 0.01 1 580 61 61 GLN HB2 H 2.06 0.01 1 581 61 61 GLN HB3 H 2.06 0.01 1 582 61 61 GLN HG2 H 2.27 0.01 1 583 61 61 GLN HG3 H 2.27 0.01 1 584 61 61 GLN C C 173.14 0.3 1 585 61 61 GLN CA C 55.71 0.3 1 586 61 61 GLN CB C 28.28 0.3 1 587 61 61 GLN CG C 33.98 0.3 1 588 61 61 GLN N N 118.64 0.5 1 589 62 62 ILE H H 9.98 0.01 1 590 62 62 ILE HA H 5.28 0.01 1 591 62 62 ILE HB H 2.09 0.01 1 592 62 62 ILE HG12 H 1.50 0.01 2 593 62 62 ILE HG13 H 1.28 0.01 2 594 62 62 ILE HG2 H 1.03 0.01 1 595 62 62 ILE HD1 H 0.88 0.01 1 596 62 62 ILE C C 173.46 0.3 1 597 62 62 ILE CA C 60.99 0.3 1 598 62 62 ILE CB C 37.09 0.3 1 599 62 62 ILE CG1 C 26.14 0.3 1 600 62 62 ILE CG2 C 18.03 0.3 1 601 62 62 ILE CD1 C 14.11 0.3 1 602 62 62 ILE N N 127.92 0.5 1 603 63 63 VAL H H 8.98 0.01 1 604 63 63 VAL HA H 4.66 0.01 1 605 63 63 VAL HB H 1.78 0.01 1 606 63 63 VAL HG1 H 0.61 0.01 2 607 63 63 VAL HG2 H -0.01 0.01 2 608 63 63 VAL C C 176.64 0.3 1 609 63 63 VAL CA C 60.48 0.3 1 610 63 63 VAL CB C 31.37 0.3 1 611 63 63 VAL CG1 C 20.51 0.3 1 612 63 63 VAL CG2 C 20.51 0.3 1 613 63 63 VAL N N 126.70 0.5 1 614 64 64 MET H H 8.88 0.01 1 615 64 64 MET HB2 H 2.11 0.01 1 616 64 64 MET HB3 H 2.11 0.01 1 617 64 64 MET HG2 H 2.64 0.01 1 618 64 64 MET HG3 H 2.64 0.01 1 619 64 64 MET C C 176.26 0.3 1 620 64 64 MET CA C 52.14 0.3 1 621 64 64 MET CB C 27.90 0.3 1 622 64 64 MET CG C 31.17 0.3 1 623 64 64 MET N N 126.38 0.5 1 624 65 65 SER H H 8.77 0.01 1 625 65 65 SER HA H 4.62 0.01 1 626 65 65 SER HB2 H 4.02 0.01 1 627 65 65 SER HB3 H 4.02 0.01 1 628 65 65 SER C C 174.73 0.3 1 629 65 65 SER CA C 57.40 0.3 1 630 65 65 SER CB C 64.33 0.3 1 631 65 65 SER N N 119.01 0.5 1 632 66 66 ARG C C 174.69 0.3 1 633 67 67 SER H H 7.45 0.01 1 634 67 67 SER HA H 4.93 0.01 1 635 67 67 SER HB2 H 4.72 0.01 2 636 67 67 SER HB3 H 4.10 0.01 2 637 67 67 SER C C 174.13 0.3 1 638 67 67 SER CA C 58.00 0.3 1 639 67 67 SER CB C 63.91 0.3 1 640 67 67 SER N N 119.53 0.5 1 641 68 68 GLU H H 8.91 0.01 1 642 68 68 GLU HA H 4.36 0.01 1 643 68 68 GLU CA C 59.88 0.3 1 644 68 68 GLU N N 123.47 0.5 1 645 69 69 ARG HB2 H 2.30 0.01 1 646 69 69 ARG C C 176.77 0.3 1 647 69 69 ARG CA C 57.36 0.3 1 648 69 69 ARG CB C 29.72 0.3 1 649 70 70 SER H H 8.18 0.01 1 650 70 70 SER HA H 4.59 0.01 1 651 70 70 SER HB2 H 3.98 0.01 1 652 70 70 SER HB3 H 3.98 0.01 1 653 70 70 SER C C 173.76 0.3 1 654 70 70 SER CA C 57.42 0.3 1 655 70 70 SER CB C 63.79 0.3 1 656 70 70 SER N N 114.37 0.5 1 657 71 71 PHE H H 8.72 0.01 1 658 71 71 PHE HA H 4.64 0.01 1 659 71 71 PHE HB2 H 3.43 0.01 2 660 71 71 PHE HB3 H 2.99 0.01 2 661 71 71 PHE C C 176.55 0.3 1 662 71 71 PHE CA C 57.33 0.3 1 663 71 71 PHE CB C 40.65 0.3 1 664 71 71 PHE N N 121.47 0.5 1 665 72 72 SER H H 9.51 0.01 1 666 72 72 SER HA H 5.18 0.01 1 667 72 72 SER HB2 H 4.23 0.01 1 668 72 72 SER HB3 H 4.23 0.01 1 669 72 72 SER C C 174.69 0.3 1 670 72 72 SER CA C 59.08 0.3 1 671 72 72 SER CB C 62.80 0.3 1 672 72 72 SER N N 119.66 0.5 1 673 73 73 VAL H H 7.45 0.01 1 674 73 73 VAL HA H 4.35 0.01 1 675 73 73 VAL HB H 2.31 0.01 1 676 73 73 VAL HG1 H 1.26 0.01 2 677 73 73 VAL HG2 H 1.31 0.01 2 678 73 73 VAL C C 177.62 0.3 1 679 73 73 VAL CA C 61.33 0.3 1 680 73 73 VAL CB C 33.35 0.3 1 681 73 73 VAL CG1 C 21.29 0.3 2 682 73 73 VAL CG2 C 20.97 0.3 2 683 73 73 VAL N N 119.53 0.5 1 684 74 74 ASP H H 9.15 0.01 1 685 74 74 ASP HA H 4.67 0.01 1 686 74 74 ASP HB2 H 3.00 0.01 1 687 74 74 ASP HB3 H 3.00 0.01 1 688 74 74 ASP C C 177.15 0.3 1 689 74 74 ASP CA C 56.80 0.3 1 690 74 74 ASP CB C 40.81 0.3 1 691 74 74 ASP N N 126.89 0.5 1 692 75 75 THR H H 7.28 0.01 1 693 75 75 THR HA H 4.61 0.01 1 694 75 75 THR HB H 4.17 0.01 1 695 75 75 THR HG2 H 1.48 0.01 1 696 75 75 THR C C 172.82 0.3 1 697 75 75 THR CA C 61.49 0.3 1 698 75 75 THR CB C 68.32 0.3 1 699 75 75 THR CG2 C 21.25 0.3 1 700 75 75 THR N N 105.80 0.5 1 701 76 76 ALA H H 7.26 0.01 1 702 76 76 ALA HA H 5.72 0.01 1 703 76 76 ALA HB H 1.95 0.01 1 704 76 76 ALA C C 176.17 0.3 1 705 76 76 ALA CA C 50.51 0.3 1 706 76 76 ALA CB C 19.85 0.3 1 707 76 76 ALA N N 124.18 0.5 1 708 77 77 HIS H H 9.09 0.01 1 709 77 77 HIS HA H 4.89 0.01 1 710 77 77 HIS HB2 H 3.34 0.01 2 711 77 77 HIS HB3 H 2.89 0.01 2 712 77 77 HIS C C 173.87 0.3 1 713 77 77 HIS CA C 54.39 0.3 1 714 77 77 HIS CB C 29.65 0.3 1 715 77 77 HIS N N 119.37 0.5 1 716 78 78 ARG H H 9.19 0.01 1 717 78 78 ARG HA H 5.27 0.01 1 718 78 78 ARG HB2 H 2.11 0.01 2 719 78 78 ARG HB3 H 1.88 0.01 2 720 78 78 ARG HG2 H 1.01 0.01 1 721 78 78 ARG HG3 H 1.01 0.01 1 722 78 78 ARG HD2 H 3.26 0.01 1 723 78 78 ARG HD3 H 3.26 0.01 1 724 78 78 ARG C C 174.83 0.3 1 725 78 78 ARG CA C 56.11 0.3 1 726 78 78 ARG CB C 31.24 0.3 1 727 78 78 ARG CG C 26.24 0.3 1 728 78 78 ARG CD C 41.94 0.3 1 729 78 78 ARG N N 125.13 0.5 1 730 79 79 ALA H H 9.08 0.01 1 731 79 79 ALA HA H 4.95 0.01 1 732 79 79 ALA HB H 1.55 0.01 1 733 79 79 ALA C C 175.79 0.3 1 734 79 79 ALA CA C 50.55 0.3 1 735 79 79 ALA CB C 22.87 0.3 1 736 79 79 ALA N N 126.71 0.5 1 737 80 80 ALA H H 9.22 0.01 1 738 80 80 ALA HA H 4.19 0.01 1 739 80 80 ALA HB H 1.63 0.01 1 740 80 80 ALA C C 177.02 0.3 1 741 80 80 ALA CA C 51.54 0.3 1 742 80 80 ALA CB C 20.42 0.3 1 743 80 80 ALA N N 120.69 0.5 1 744 81 81 SER H H 7.61 0.01 1 745 81 81 SER HA H 4.45 0.01 1 746 81 81 SER HB2 H 4.07 0.01 1 747 81 81 SER HB3 H 4.07 0.01 1 748 81 81 SER C C 174.21 0.3 1 749 81 81 SER CA C 55.80 0.3 1 750 81 81 SER CB C 66.47 0.3 1 751 81 81 SER N N 109.60 0.5 1 752 82 82 VAL H H 8.98 0.01 1 753 82 82 VAL HA H 3.47 0.01 1 754 82 82 VAL HB H 1.76 0.01 1 755 82 82 VAL HG1 H 0.25 0.01 2 756 82 82 VAL HG2 H 0.21 0.01 2 757 82 82 VAL C C 177.11 0.3 1 758 82 82 VAL CA C 66.47 0.3 1 759 82 82 VAL CB C 30.78 0.3 1 760 82 82 VAL CG1 C 18.46 0.3 2 761 82 82 VAL CG2 C 20.76 0.3 2 762 82 82 VAL N N 123.76 0.5 1 763 83 83 GLU H H 8.65 0.01 1 764 83 83 GLU HA H 4.00 0.01 1 765 83 83 GLU HB2 H 2.14 0.01 2 766 83 83 GLU HB3 H 2.09 0.01 2 767 83 83 GLU HG2 H 2.46 0.01 1 768 83 83 GLU HG3 H 2.46 0.01 1 769 83 83 GLU C C 179.09 0.3 1 770 83 83 GLU CA C 59.78 0.3 1 771 83 83 GLU CB C 28.40 0.3 1 772 83 83 GLU CG C 36.77 0.3 1 773 83 83 GLU N N 117.38 0.5 1 774 84 84 GLU H H 8.07 0.01 1 775 84 84 GLU HA H 4.26 0.01 1 776 84 84 GLU HB2 H 2.26 0.01 2 777 84 84 GLU HB3 H 1.98 0.01 2 778 84 84 GLU HG2 H 2.49 0.01 2 779 84 84 GLU HG3 H 2.42 0.01 2 780 84 84 GLU C C 178.38 0.3 1 781 84 84 GLU CA C 59.03 0.3 1 782 84 84 GLU CB C 30.07 0.3 1 783 84 84 GLU CG C 36.87 0.3 1 784 84 84 GLU N N 118.74 0.5 1 785 85 85 ALA H H 8.30 0.01 1 786 85 85 ALA HA H 4.06 0.01 1 787 85 85 ALA HB H 1.76 0.01 1 788 85 85 ALA C C 179.19 0.3 1 789 85 85 ALA CA C 55.26 0.3 1 790 85 85 ALA CB C 18.31 0.3 1 791 85 85 ALA N N 121.61 0.5 1 792 86 86 VAL H H 8.49 0.01 1 793 86 86 VAL HA H 3.61 0.01 1 794 86 86 VAL HB H 2.34 0.01 1 795 86 86 VAL HG1 H 1.19 0.01 2 796 86 86 VAL HG2 H 1.14 0.01 2 797 86 86 VAL C C 177.81 0.3 1 798 86 86 VAL CA C 66.80 0.3 1 799 86 86 VAL CB C 31.19 0.3 1 800 86 86 VAL CG1 C 21.36 0.3 2 801 86 86 VAL CG2 C 22.82 0.3 2 802 86 86 VAL N N 116.62 0.5 1 803 87 87 ASP H H 8.16 0.01 1 804 87 87 ASP HA H 3.92 0.01 1 805 87 87 ASP HB2 H 2.99 0.01 2 806 87 87 ASP HB3 H 2.74 0.01 2 807 87 87 ASP C C 180.37 0.3 1 808 87 87 ASP CA C 57.34 0.3 1 809 87 87 ASP CB C 40.31 0.3 1 810 87 87 ASP N N 120.63 0.5 1 811 88 88 ILE H H 8.80 0.01 1 812 88 88 ILE HA H 3.83 0.01 1 813 88 88 ILE HB H 1.94 0.01 1 814 88 88 ILE HG12 H 1.20 0.01 2 815 88 88 ILE HG13 H 1.04 0.01 2 816 88 88 ILE HG2 H 0.62 0.01 1 817 88 88 ILE HD1 H 0.55 0.01 1 818 88 88 ILE C C 179.53 0.3 1 819 88 88 ILE CA C 64.94 0.3 1 820 88 88 ILE CB C 37.60 0.3 1 821 88 88 ILE CG1 C 28.72 0.3 2 822 88 88 ILE CG2 C 16.57 0.3 2 823 88 88 ILE CD1 C 14.27 0.3 1 824 88 88 ILE N N 121.89 0.5 1 825 89 89 ALA H H 8.47 0.01 1 826 89 89 ALA HA H 3.90 0.01 1 827 89 89 ALA HB H 1.45 0.01 1 828 89 89 ALA C C 179.17 0.3 1 829 89 89 ALA CA C 55.95 0.3 1 830 89 89 ALA CB C 16.14 0.3 1 831 89 89 ALA N N 123.16 0.5 1 832 90 90 ALA H H 8.87 0.01 1 833 90 90 ALA HA H 4.22 0.01 1 834 90 90 ALA HB H 1.69 0.01 1 835 90 90 ALA C C 182.53 0.3 1 836 90 90 ALA CA C 54.90 0.3 1 837 90 90 ALA CB C 17.44 0.3 1 838 90 90 ALA N N 119.85 0.5 1 839 91 91 SER H H 8.43 0.01 1 840 91 91 SER HA H 4.58 0.01 1 841 91 91 SER HB2 H 4.28 0.01 1 842 91 91 SER HB3 H 4.28 0.01 1 843 91 91 SER C C 175.11 0.3 1 844 91 91 SER CA C 61.01 0.3 1 845 91 91 SER CB C 62.60 0.3 1 846 91 91 SER N N 118.73 0.5 1 847 92 92 LEU H H 7.59 0.01 1 848 92 92 LEU HA H 4.22 0.01 1 849 92 92 LEU HB2 H 1.87 0.01 1 850 92 92 LEU HB3 H 1.87 0.01 1 851 92 92 LEU HG H 1.85 0.01 1 852 92 92 LEU HD1 H 0.63 0.01 2 853 92 92 LEU HD2 H 0.86 0.01 2 854 92 92 LEU C C 176.77 0.3 1 855 92 92 LEU CA C 54.44 0.3 1 856 92 92 LEU CB C 40.89 0.3 1 857 92 92 LEU CG C 25.51 0.3 1 858 92 92 LEU CD1 C 23.33 0.3 2 859 92 92 LEU CD2 C 20.83 0.3 2 860 92 92 LEU N N 122.45 0.5 1 861 93 93 ASP H H 8.44 0.01 1 862 93 93 ASP HA H 4.58 0.01 1 863 93 93 ASP HB2 H 2.78 0.01 2 864 93 93 ASP HB3 H 2.31 0.01 2 865 93 93 ASP C C 175.13 0.3 1 866 93 93 ASP CA C 55.11 0.3 1 867 93 93 ASP CB C 38.65 0.3 1 868 93 93 ASP N N 117.73 0.5 1 869 94 94 ALA H H 7.58 0.01 1 870 94 94 ALA HA H 4.38 0.01 1 871 94 94 ALA HB H 1.48 0.01 1 872 94 94 ALA C C 177.77 0.3 1 873 94 94 ALA CA C 52.13 0.3 1 874 94 94 ALA CB C 20.45 0.3 1 875 94 94 ALA N N 119.97 0.5 1 876 95 95 GLU H H 9.16 0.01 1 877 95 95 GLU HA H 4.63 0.01 1 878 95 95 GLU HB2 H 2.10 0.01 2 879 95 95 GLU HB3 H 1.98 0.01 2 880 95 95 GLU HG2 H 2.53 0.01 2 881 95 95 GLU HG3 H 2.44 0.01 2 882 95 95 GLU C C 175.74 0.3 1 883 95 95 GLU CA C 56.92 0.3 1 884 95 95 GLU CB C 30.32 0.3 1 885 95 95 GLU CG C 36.43 0.3 1 886 95 95 GLU N N 119.72 0.5 1 887 96 96 THR H H 7.71 0.01 1 888 96 96 THR HA H 5.10 0.01 1 889 96 96 THR HB H 4.18 0.01 1 890 96 96 THR HG2 H 0.61 0.01 1 891 96 96 THR C C 171.02 0.3 1 892 96 96 THR CA C 61.54 0.3 1 893 96 96 THR CB C 71.77 0.3 1 894 96 96 THR CG2 C 21.38 0.3 1 895 96 96 THR N N 118.36 0.5 1 896 97 97 ALA H H 8.44 0.01 1 897 97 97 ALA HA H 5.02 0.01 1 898 97 97 ALA HB H 1.07 0.01 1 899 97 97 ALA C C 173.37 0.3 1 900 97 97 ALA CA C 50.22 0.3 1 901 97 97 ALA CB C 19.67 0.3 1 902 97 97 ALA N N 123.40 0.5 1 903 98 98 TYR H H 8.60 0.01 1 904 98 98 TYR HA H 5.29 0.01 1 905 98 98 TYR HB2 H 2.89 0.01 1 906 98 98 TYR HB3 H 2.89 0.01 1 907 98 98 TYR C C 175.34 0.3 1 908 98 98 TYR CA C 56.76 0.3 1 909 98 98 TYR CB C 40.74 0.3 1 910 98 98 TYR N N 120.17 0.5 1 911 99 99 VAL H H 9.85 0.01 1 912 99 99 VAL HA H 6.11 0.01 1 913 99 99 VAL HB H 2.18 0.01 1 914 99 99 VAL HG1 H 0.43 0.01 2 915 99 99 VAL HG2 H 0.87 0.01 2 916 99 99 VAL C C 177.51 0.3 1 917 99 99 VAL CA C 61.69 0.3 1 918 99 99 VAL CB C 33.85 0.3 1 919 99 99 VAL CG1 C 19.20 0.3 2 920 99 99 VAL CG2 C 21.42 0.3 2 921 99 99 VAL N N 125.63 0.5 1 922 100 100 ILE H H 8.73 0.01 1 923 100 100 ILE HA H 5.68 0.01 1 924 100 100 ILE HB H 2.20 0.01 1 925 100 100 ILE HG12 H 1.16 0.01 1 926 100 100 ILE HG13 H 1.16 0.01 1 927 100 100 ILE HG2 H 0.47 0.01 1 928 100 100 ILE HD1 H 0.98 0.01 1 929 100 100 ILE C C 174.93 0.3 1 930 100 100 ILE CA C 61.67 0.3 1 931 100 100 ILE CB C 37.91 0.3 1 932 100 100 ILE CG1 C 25.20 0.3 2 933 100 100 ILE CG2 C 18.91 0.3 2 934 100 100 ILE CD1 C 10.10 0.3 1 935 100 100 ILE N N 117.36 0.5 1 936 101 101 GLY H H 6.13 0.01 1 937 101 101 GLY HA2 H 4.36 0.01 2 938 101 101 GLY HA3 H 4.34 0.01 2 939 101 101 GLY C C 174.84 0.3 1 940 101 101 GLY CA C 42.04 0.3 1 941 101 101 GLY N N 102.73 0.5 1 942 102 102 GLY H H 8.03 0.01 1 943 102 102 GLY HA2 H 4.25 0.01 1 944 102 102 GLY HA3 H 4.25 0.01 1 945 102 102 GLY C C 175.19 0.3 1 946 102 102 GLY CA C 45.81 0.3 1 947 102 102 GLY N N 108.62 0.5 1 948 103 103 ALA H H 9.31 0.01 1 949 103 103 ALA HA H 4.23 0.01 1 950 103 103 ALA HB H 1.70 0.01 1 951 103 103 ALA C C 182.49 0.3 1 952 103 103 ALA CA C 57.23 0.3 1 953 103 103 ALA CB C 19.43 0.3 1 954 103 103 ALA N N 125.02 0.5 1 955 104 104 ALA H H 8.42 0.01 1 956 104 104 ALA HA H 3.94 0.01 1 957 104 104 ALA HB H 1.74 0.01 1 958 104 104 ALA C C 180.39 0.3 1 959 104 104 ALA CA C 55.13 0.3 1 960 104 104 ALA CB C 18.01 0.3 1 961 104 104 ALA N N 118.33 0.5 1 962 105 105 ILE H H 7.58 0.01 1 963 105 105 ILE HA H 4.14 0.01 1 964 105 105 ILE HB H 2.26 0.01 1 965 105 105 ILE HG12 H 1.39 0.01 2 966 105 105 ILE HG13 H 1.19 0.01 2 967 105 105 ILE HG2 H 0.93 0.01 1 968 105 105 ILE HD1 H 1.00 0.01 1 969 105 105 ILE C C 179.23 0.3 1 970 105 105 ILE CA C 61.70 0.3 1 971 105 105 ILE CB C 34.79 0.3 1 972 105 105 ILE CG1 C 22.11 0.3 2 973 105 105 ILE CG2 C 18.17 0.3 2 974 105 105 ILE CD1 C 9.85 0.3 1 975 105 105 ILE N N 120.11 0.5 1 976 106 106 TYR H H 8.83 0.01 1 977 106 106 TYR HA H 4.42 0.01 1 978 106 106 TYR HB2 H 2.77 0.01 2 979 106 106 TYR HB3 H 3.02 0.01 2 980 106 106 TYR C C 179.59 0.3 1 981 106 106 TYR CA C 60.36 0.3 1 982 106 106 TYR CB C 37.72 0.3 1 983 106 106 TYR N N 119.36 0.5 1 984 107 107 ALA H H 8.42 0.01 1 985 107 107 ALA HA H 4.17 0.01 1 986 107 107 ALA HB H 1.76 0.01 1 987 107 107 ALA C C 179.66 0.3 1 988 107 107 ALA CA C 55.38 0.3 1 989 107 107 ALA CB C 17.55 0.3 1 990 107 107 ALA N N 119.45 0.5 1 991 108 108 LEU H H 7.91 0.01 1 992 108 108 LEU HA H 4.23 0.01 1 993 108 108 LEU HB2 H 2.04 0.01 1 994 108 108 LEU HB3 H 2.04 0.01 1 995 108 108 LEU HG H 1.52 0.01 1 996 108 108 LEU HD1 H 0.96 0.01 2 997 108 108 LEU HD2 H 1.06 0.01 2 998 108 108 LEU C C 178.45 0.3 1 999 108 108 LEU CA C 57.31 0.3 1 1000 108 108 LEU CB C 42.88 0.3 1 1001 108 108 LEU CG C 25.53 0.3 1 1002 108 108 LEU CD1 C 25.53 0.3 2 1003 108 108 LEU CD2 C 23.13 0.3 2 1004 108 108 LEU N N 118.97 0.5 1 1005 109 109 PHE H H 8.21 0.01 1 1006 109 109 PHE HA H 4.40 0.01 1 1007 109 109 PHE HB2 H 3.31 0.01 2 1008 109 109 PHE HB3 H 2.52 0.01 2 1009 109 109 PHE C C 177.20 0.3 1 1010 109 109 PHE CA C 61.21 0.3 1 1011 109 109 PHE CB C 40.73 0.3 1 1012 109 109 PHE N N 111.26 0.5 1 1013 110 110 GLN H H 8.30 0.01 1 1014 110 110 GLN HA H 3.98 0.01 1 1015 110 110 GLN HB2 H 2.11 0.01 1 1016 110 110 GLN HB3 H 2.11 0.01 1 1017 110 110 GLN HG2 H 2.28 0.01 1 1018 110 110 GLN HG3 H 2.28 0.01 1 1019 110 110 GLN CA C 60.38 0.3 1 1020 110 110 GLN CB C 24.32 0.3 1 1021 110 110 GLN CG C 36.58 0.3 1 1022 110 110 GLN N N 122.09 0.5 1 1023 111 111 PRO C C 176.93 0.3 1 1024 111 111 PRO CA C 62.57 0.3 1 1025 111 111 PRO CB C 30.90 0.3 1 1026 111 111 PRO CG C 26.30 0.3 1 1027 111 111 PRO CD C 50.07 0.3 1 1028 112 112 HIS H H 8.47 0.01 1 1029 112 112 HIS HA H 4.60 0.01 1 1030 112 112 HIS HB2 H 3.26 0.01 2 1031 112 112 HIS HB3 H 3.48 0.01 2 1032 112 112 HIS C C 175.74 0.3 1 1033 112 112 HIS CA C 55.33 0.3 1 1034 112 112 HIS CB C 31.76 0.3 1 1035 112 112 HIS N N 114.94 0.5 1 1036 113 113 LEU H H 7.60 0.01 1 1037 113 113 LEU HA H 4.37 0.01 1 1038 113 113 LEU HB2 H 2.18 0.01 2 1039 113 113 LEU HB3 H 1.41 0.01 2 1040 113 113 LEU HG H 1.51 0.01 1 1041 113 113 LEU HD1 H 1.26 0.01 2 1042 113 113 LEU HD2 H 1.12 0.01 2 1043 113 113 LEU C C 177.38 0.3 1 1044 113 113 LEU CA C 55.84 0.3 1 1045 113 113 LEU CB C 43.85 0.3 1 1046 113 113 LEU CG C 25.99 0.3 1 1047 113 113 LEU CD1 C 22.70 0.3 2 1048 113 113 LEU CD2 C 23.33 0.3 2 1049 113 113 LEU N N 116.49 0.5 1 1050 114 114 ASP H H 9.85 0.01 1 1051 114 114 ASP HA H 4.85 0.01 1 1052 114 114 ASP HB2 H 2.81 0.01 2 1053 114 114 ASP HB3 H 2.72 0.01 2 1054 114 114 ASP C C 176.58 0.3 1 1055 114 114 ASP CA C 56.33 0.3 1 1056 114 114 ASP CB C 44.95 0.3 1 1057 114 114 ASP N N 117.87 0.5 1 1058 115 115 ARG H H 8.33 0.01 1 1059 115 115 ARG HA H 5.02 0.01 1 1060 115 115 ARG HB2 H 2.11 0.01 2 1061 115 115 ARG HB3 H 2.45 0.01 2 1062 115 115 ARG HG2 H 1.24 0.01 2 1063 115 115 ARG HG3 H 1.47 0.01 2 1064 115 115 ARG HD2 H 3.49 0.01 1 1065 115 115 ARG HD3 H 3.49 0.01 1 1066 115 115 ARG C C 175.88 0.3 1 1067 115 115 ARG CA C 55.49 0.3 1 1068 115 115 ARG CB C 29.19 0.3 1 1069 115 115 ARG CG C 28.50 0.3 1 1070 115 115 ARG CD C 43.42 0.3 1 1071 115 115 ARG N N 116.54 0.5 1 1072 116 116 MET H H 7.75 0.01 1 1073 116 116 MET HA H 5.23 0.01 1 1074 116 116 MET HB2 H 1.58 0.01 2 1075 116 116 MET HB3 H 1.63 0.01 2 1076 116 116 MET HG2 H 2.65 0.01 1 1077 116 116 MET HG3 H 2.65 0.01 1 1078 116 116 MET C C 174.78 0.3 1 1079 116 116 MET CA C 55.53 0.3 1 1080 116 116 MET CB C 29.01 0.3 1 1081 116 116 MET CG C 31.52 0.3 1 1082 116 116 MET N N 121.65 0.5 1 1083 117 117 VAL H H 9.44 0.01 1 1084 117 117 VAL HA H 5.03 0.01 1 1085 117 117 VAL HB H 2.52 0.01 1 1086 117 117 VAL HG1 H 0.88 0.01 2 1087 117 117 VAL HG2 H 1.10 0.01 2 1088 117 117 VAL C C 175.19 0.3 1 1089 117 117 VAL CA C 62.28 0.3 1 1090 117 117 VAL CB C 30.85 0.3 1 1091 117 117 VAL CG1 C 20.80 0.3 2 1092 117 117 VAL CG2 C 19.89 0.3 2 1093 117 117 VAL N N 126.13 0.5 1 1094 118 118 LEU H H 9.30 0.01 1 1095 118 118 LEU HA H 5.54 0.01 1 1096 118 118 LEU HB2 H 0.12 0.01 2 1097 118 118 LEU HB3 H 1.14 0.01 2 1098 118 118 LEU HG H 0.41 0.01 1 1099 118 118 LEU HD1 H 0.20 0.01 2 1100 118 118 LEU HD2 H 0.11 0.01 2 1101 118 118 LEU C C 176.56 0.3 1 1102 118 118 LEU CA C 52.11 0.3 1 1103 118 118 LEU CB C 43.97 0.3 1 1104 118 118 LEU CG C 26.38 0.3 1 1105 118 118 LEU CD1 C 19.27 0.3 2 1106 118 118 LEU CD2 C 19.47 0.3 2 1107 118 118 LEU N N 125.36 0.5 1 1108 119 119 SER H H 9.69 0.01 1 1109 119 119 SER HA H 5.23 0.01 1 1110 119 119 SER HB2 H 3.85 0.01 1 1111 119 119 SER HB3 H 3.85 0.01 1 1112 119 119 SER C C 172.95 0.3 1 1113 119 119 SER CA C 57.32 0.3 1 1114 119 119 SER CB C 61.33 0.3 1 1115 119 119 SER N N 122.67 0.5 1 1116 120 120 ARG H H 9.93 0.01 1 1117 120 120 ARG HA H 5.48 0.01 1 1118 120 120 ARG HB2 H 1.51 0.01 1 1119 120 120 ARG HB3 H 1.51 0.01 1 1120 120 120 ARG HG2 H 1.11 0.01 2 1121 120 120 ARG HG3 H 1.03 0.01 2 1122 120 120 ARG HD2 H 3.28 0.01 1 1123 120 120 ARG HD3 H 3.28 0.01 1 1124 120 120 ARG C C 175.85 0.3 1 1125 120 120 ARG CA C 52.35 0.3 1 1126 120 120 ARG CB C 26.05 0.3 1 1127 120 120 ARG CG C 25.06 0.3 1 1128 120 120 ARG CD C 41.94 0.3 1 1129 120 120 ARG N N 124.19 0.5 1 1130 121 121 VAL H H 8.80 0.01 1 1131 121 121 VAL HA H 6.09 0.01 1 1132 121 121 VAL HB H 2.12 0.01 1 1133 121 121 VAL HG1 H -0.10 0.01 2 1134 121 121 VAL HG2 H 1.02 0.01 2 1135 121 121 VAL CA C 59.73 0.3 1 1136 121 121 VAL CB C 33.06 0.3 1 1137 121 121 VAL CG1 C 18.95 0.3 2 1138 121 121 VAL CG2 C 19.31 0.3 2 1139 121 121 VAL N N 132.22 0.5 1 1140 122 122 PRO HA H 4.61 0.01 1 1141 122 122 PRO HB2 H 2.15 0.01 1 1142 122 122 PRO HB3 H 2.15 0.01 1 1143 122 122 PRO HG2 H 2.25 0.01 2 1144 122 122 PRO HG3 H 1.99 0.01 2 1145 122 122 PRO HD2 H 3.52 0.01 2 1146 122 122 PRO HD3 H 3.60 0.01 2 1147 122 122 PRO C C 177.22 0.3 1 1148 122 122 PRO CA C 63.10 0.3 1 1149 122 122 PRO CB C 31.89 0.3 1 1150 122 122 PRO CG C 27.70 0.3 1 1151 122 122 PRO CD C 50.83 0.3 1 1152 123 123 GLY H H 8.85 0.01 1 1153 123 123 GLY HA2 H 3.89 0.01 2 1154 123 123 GLY HA3 H 4.48 0.01 2 1155 123 123 GLY C C 172.23 0.3 1 1156 123 123 GLY CA C 44.05 0.3 1 1157 123 123 GLY N N 109.35 0.5 1 1158 124 124 GLU H H 8.02 0.01 1 1159 124 124 GLU HA H 4.37 0.01 1 1160 124 124 GLU HB2 H 1.96 0.01 1 1161 124 124 GLU HB3 H 1.96 0.01 1 1162 124 124 GLU HG2 H 2.44 0.01 1 1163 124 124 GLU HG3 H 2.44 0.01 1 1164 124 124 GLU C C 174.29 0.3 1 1165 124 124 GLU CA C 55.01 0.3 1 1166 124 124 GLU CB C 30.45 0.3 1 1167 124 124 GLU CG C 34.71 0.3 1 1168 124 124 GLU N N 117.83 0.5 1 1169 125 125 TYR H H 8.80 0.01 1 1170 125 125 TYR HA H 4.30 0.01 1 1171 125 125 TYR HB2 H 2.64 0.01 2 1172 125 125 TYR HB3 H 3.28 0.01 2 1173 125 125 TYR C C 173.75 0.3 1 1174 125 125 TYR CA C 55.77 0.3 1 1175 125 125 TYR CB C 42.09 0.3 1 1176 125 125 TYR N N 118.62 0.5 1 1177 126 126 GLU H H 8.95 0.01 1 1178 126 126 GLU HA H 4.23 0.01 1 1179 126 126 GLU HB2 H 2.24 0.01 1 1180 126 126 GLU HB3 H 2.24 0.01 1 1181 126 126 GLU HG2 H 2.50 0.01 1 1182 126 126 GLU HG3 H 2.50 0.01 1 1183 126 126 GLU C C 176.37 0.3 1 1184 126 126 GLU CA C 56.07 0.3 1 1185 126 126 GLU CB C 29.92 0.3 1 1186 126 126 GLU CG C 36.35 0.3 1 1187 126 126 GLU N N 122.67 0.5 1 1188 127 127 GLY H H 8.39 0.01 1 1189 127 127 GLY HA2 H 4.22 0.01 1 1190 127 127 GLY HA3 H 4.22 0.01 1 1191 127 127 GLY C C 171.28 0.3 1 1192 127 127 GLY CA C 45.50 0.3 1 1193 127 127 GLY N N 108.54 0.5 1 1194 128 128 ASP H H 8.76 0.01 1 1195 128 128 ASP HA H 4.50 0.01 1 1196 128 128 ASP HB2 H 2.96 0.01 1 1197 128 128 ASP HB3 H 2.96 0.01 1 1198 128 128 ASP C C 175.99 0.3 1 1199 128 128 ASP CA C 53.35 0.3 1 1200 128 128 ASP CB C 42.32 0.3 1 1201 128 128 ASP N N 115.48 0.5 1 1202 129 129 THR H H 7.76 0.01 1 1203 129 129 THR HA H 4.98 0.01 1 1204 129 129 THR HB H 4.16 0.01 1 1205 129 129 THR HG2 H 1.46 0.01 1 1206 129 129 THR C C 173.74 0.3 1 1207 129 129 THR CA C 60.56 0.3 1 1208 129 129 THR CB C 72.08 0.3 1 1209 129 129 THR CG2 C 22.54 0.3 1 1210 129 129 THR N N 113.20 0.5 1 1211 130 130 TYR H H 8.95 0.01 1 1212 130 130 TYR HA H 4.60 0.01 1 1213 130 130 TYR HB2 H 3.14 0.01 2 1214 130 130 TYR HB3 H 2.84 0.01 2 1215 130 130 TYR C C 175.24 0.3 1 1216 130 130 TYR CA C 57.28 0.3 1 1217 130 130 TYR CB C 41.86 0.3 1 1218 130 130 TYR N N 122.67 0.5 1 1219 131 131 TYR H H 9.14 0.01 1 1220 131 131 TYR HA H 4.71 0.01 1 1221 131 131 TYR HB2 H 3.02 0.01 1 1222 131 131 TYR HB3 H 3.02 0.01 1 1223 131 131 TYR CA C 57.39 0.3 1 1224 131 131 TYR CB C 39.90 0.3 1 1225 131 131 TYR N N 125.05 0.5 1 1226 132 132 PRO HA H 4.40 0.01 1 1227 132 132 PRO HB2 H 2.18 0.01 2 1228 132 132 PRO HB3 H 2.21 0.01 2 1229 132 132 PRO HG2 H 2.02 0.01 1 1230 132 132 PRO HG3 H 2.02 0.01 1 1231 132 132 PRO HD2 H 3.67 0.01 2 1232 132 132 PRO HD3 H 3.71 0.01 2 1233 132 132 PRO C C 174.27 0.3 1 1234 132 132 PRO CA C 63.10 0.3 1 1235 132 132 PRO CB C 31.89 0.3 1 1236 132 132 PRO CG C 26.67 0.3 1 1237 132 132 PRO CD C 50.41 0.3 1 1238 133 133 GLU H H 8.09 0.01 1 1239 133 133 GLU HA H 3.94 0.01 1 1240 133 133 GLU HB2 H 1.99 0.01 2 1241 133 133 GLU HB3 H 1.86 0.01 2 1242 133 133 GLU HG2 H 2.12 0.01 2 1243 133 133 GLU HG3 H 2.15 0.01 2 1244 133 133 GLU C C 175.79 0.3 1 1245 133 133 GLU CA C 56.84 0.3 1 1246 133 133 GLU CB C 29.94 0.3 1 1247 133 133 GLU CG C 36.38 0.3 1 1248 133 133 GLU N N 118.76 0.5 1 1249 134 134 TRP H H 7.36 0.01 1 1250 134 134 TRP HA H 5.20 0.01 1 1251 134 134 TRP HB2 H 2.89 0.01 2 1252 134 134 TRP HB3 H 3.06 0.01 2 1253 134 134 TRP C C 174.45 0.3 1 1254 134 134 TRP CA C 55.64 0.3 1 1255 134 134 TRP CB C 30.54 0.3 1 1256 134 134 TRP N N 121.76 0.5 1 1257 135 135 ASP H H 9.18 0.01 1 1258 135 135 ASP HA H 4.54 0.01 1 1259 135 135 ASP HB2 H 2.87 0.01 1 1260 135 135 ASP HB3 H 2.87 0.01 1 1261 135 135 ASP C C 177.80 0.3 1 1262 135 135 ASP CA C 53.48 0.3 1 1263 135 135 ASP CB C 41.73 0.3 1 1264 135 135 ASP N N 122.70 0.5 1 1265 136 136 ALA H H 9.04 0.01 1 1266 136 136 ALA HA H 4.58 0.01 1 1267 136 136 ALA HB H 1.78 0.01 1 1268 136 136 ALA C C 178.76 0.3 1 1269 136 136 ALA CA C 55.06 0.3 1 1270 136 136 ALA CB C 18.61 0.3 1 1271 136 136 ALA N N 130.54 0.5 1 1272 137 137 ALA H H 8.80 0.01 1 1273 137 137 ALA HA H 4.63 0.01 1 1274 137 137 ALA HB H 1.75 0.01 1 1275 137 137 ALA C C 179.73 0.3 1 1276 137 137 ALA CA C 53.83 0.3 1 1277 137 137 ALA CB C 18.74 0.3 1 1278 137 137 ALA N N 117.58 0.5 1 1279 138 138 GLU H H 8.15 0.01 1 1280 138 138 GLU HA H 4.56 0.01 1 1281 138 138 GLU HB2 H 2.29 0.01 1 1282 138 138 GLU HB3 H 2.29 0.01 1 1283 138 138 GLU HG2 H 2.52 0.01 1 1284 138 138 GLU HG3 H 2.52 0.01 1 1285 138 138 GLU C C 175.49 0.3 1 1286 138 138 GLU CA C 55.96 0.3 1 1287 138 138 GLU CB C 31.62 0.3 1 1288 138 138 GLU CG C 36.27 0.3 1 1289 138 138 GLU N N 114.91 0.5 1 1290 139 139 TRP H H 7.64 0.01 1 1291 139 139 TRP HA H 5.33 0.01 1 1292 139 139 TRP HB2 H 3.89 0.01 2 1293 139 139 TRP HB3 H 3.59 0.01 2 1294 139 139 TRP C C 174.67 0.3 1 1295 139 139 TRP CA C 56.68 0.3 1 1296 139 139 TRP CB C 34.17 0.3 1 1297 139 139 TRP N N 119.25 0.5 1 1298 140 140 GLU H H 9.86 0.01 1 1299 140 140 GLU HA H 5.29 0.01 1 1300 140 140 GLU HB2 H 2.17 0.01 1 1301 140 140 GLU HB3 H 2.17 0.01 1 1302 140 140 GLU HG2 H 2.41 0.01 1 1303 140 140 GLU HG3 H 2.41 0.01 1 1304 140 140 GLU C C 175.09 0.3 1 1305 140 140 GLU CA C 54.17 0.3 1 1306 140 140 GLU CB C 32.65 0.3 1 1307 140 140 GLU CG C 35.84 0.3 1 1308 140 140 GLU N N 119.98 0.5 1 1309 141 141 LEU H H 8.85 0.01 1 1310 141 141 LEU HA H 4.84 0.01 1 1311 141 141 LEU HB2 H 1.57 0.01 1 1312 141 141 LEU HB3 H 1.57 0.01 1 1313 141 141 LEU HG H 1.56 0.01 1 1314 141 141 LEU HD1 H 0.60 0.01 2 1315 141 141 LEU HD2 H 0.00 0.01 2 1316 141 141 LEU C C 175.52 0.3 1 1317 141 141 LEU CA C 54.90 0.3 1 1318 141 141 LEU CB C 40.05 0.3 1 1319 141 141 LEU CG C 25.52 0.3 1 1320 141 141 LEU CD1 C 25.52 0.3 2 1321 141 141 LEU CD2 C 22.02 0.3 2 1322 141 141 LEU N N 128.16 0.5 1 1323 142 142 ASP H H 9.34 0.01 1 1324 142 142 ASP HA H 4.83 0.01 1 1325 142 142 ASP HB2 H 2.67 0.01 1 1326 142 142 ASP HB3 H 2.67 0.01 1 1327 142 142 ASP C C 176.05 0.3 1 1328 142 142 ASP CA C 55.61 0.3 1 1329 142 142 ASP CB C 44.52 0.3 1 1330 142 142 ASP N N 131.87 0.5 1 1331 143 143 ALA H H 7.73 0.01 1 1332 143 143 ALA HA H 4.72 0.01 1 1333 143 143 ALA HB H 1.49 0.01 1 1334 143 143 ALA C C 174.98 0.3 1 1335 143 143 ALA CA C 51.89 0.3 1 1336 143 143 ALA CB C 22.21 0.3 1 1337 143 143 ALA N N 117.07 0.5 1 1338 144 144 GLU H H 8.48 0.01 1 1339 144 144 GLU HA H 5.65 0.01 1 1340 144 144 GLU HB2 H 1.97 0.01 2 1341 144 144 GLU HB3 H 2.08 0.01 2 1342 144 144 GLU HG2 H 2.18 0.01 2 1343 144 144 GLU HG3 H 2.14 0.01 2 1344 144 144 GLU C C 175.29 0.3 1 1345 144 144 GLU CA C 55.48 0.3 1 1346 144 144 GLU CB C 33.59 0.3 1 1347 144 144 GLU CG C 37.87 0.3 1 1348 144 144 GLU N N 120.93 0.5 1 1349 145 145 THR H H 9.06 0.01 1 1350 145 145 THR HA H 5.53 0.01 1 1351 145 145 THR HB H 4.11 0.01 1 1352 145 145 THR HG2 H 1.15 0.01 1 1353 145 145 THR C C 173.22 0.3 1 1354 145 145 THR CA C 60.91 0.3 1 1355 145 145 THR CB C 71.33 0.3 1 1356 145 145 THR CG2 C 21.50 0.3 1 1357 145 145 THR N N 119.82 0.5 1 1358 146 146 ASP H H 9.00 0.01 1 1359 146 146 ASP HA H 4.85 0.01 1 1360 146 146 ASP HB2 H 2.72 0.01 2 1361 146 146 ASP HB3 H 2.74 0.01 2 1362 146 146 ASP C C 174.70 0.3 1 1363 146 146 ASP CA C 55.29 0.3 1 1364 146 146 ASP CB C 41.06 0.3 1 1365 146 146 ASP N N 127.83 0.5 1 1366 147 147 HIS H H 8.16 0.01 1 1367 147 147 HIS HA H 4.92 0.01 1 1368 147 147 HIS HB2 H 2.88 0.01 2 1369 147 147 HIS HB3 H 3.00 0.01 2 1370 147 147 HIS C C 174.64 0.3 1 1371 147 147 HIS CA C 54.66 0.3 1 1372 147 147 HIS CB C 32.73 0.3 1 1373 147 147 HIS N N 123.16 0.5 1 1374 148 148 GLU H H 8.81 0.01 1 1375 148 148 GLU HA H 4.30 0.01 1 1376 148 148 GLU HB2 H 2.25 0.01 1 1377 148 148 GLU HB3 H 2.25 0.01 1 1378 148 148 GLU HG2 H 2.54 0.01 1 1379 148 148 GLU HG3 H 2.54 0.01 1 1380 148 148 GLU C C 176.34 0.3 1 1381 148 148 GLU CA C 57.59 0.3 1 1382 148 148 GLU CB C 30.48 0.3 1 1383 148 148 GLU CG C 36.00 0.3 1 1384 148 148 GLU N N 122.00 0.5 1 1385 149 149 GLY H H 8.78 0.01 1 1386 149 149 GLY HA2 H 4.04 0.01 2 1387 149 149 GLY HA3 H 4.55 0.01 2 1388 149 149 GLY C C 173.14 0.3 1 1389 149 149 GLY CA C 45.23 0.3 1 1390 149 149 GLY N N 114.71 0.5 1 1391 150 150 PHE H H 7.35 0.01 1 1392 150 150 PHE HA H 5.20 0.01 1 1393 150 150 PHE HB2 H 3.55 0.01 2 1394 150 150 PHE HB3 H 2.57 0.01 2 1395 150 150 PHE C C 172.65 0.3 1 1396 150 150 PHE CA C 56.52 0.3 1 1397 150 150 PHE CB C 38.65 0.3 1 1398 150 150 PHE N N 111.28 0.5 1 1399 151 151 THR H H 8.55 0.01 1 1400 151 151 THR HA H 4.67 0.01 1 1401 151 151 THR HB H 4.36 0.01 1 1402 151 151 THR HG2 H 1.30 0.01 1 1403 151 151 THR C C 173.06 0.3 1 1404 151 151 THR CA C 61.73 0.3 1 1405 151 151 THR CB C 71.02 0.3 1 1406 151 151 THR CG2 C 21.70 0.3 1 1407 151 151 THR N N 116.08 0.5 1 1408 152 152 LEU H H 9.51 0.01 1 1409 152 152 LEU HA H 5.31 0.01 1 1410 152 152 LEU HB2 H 2.03 0.01 1 1411 152 152 LEU HB3 H 2.03 0.01 1 1412 152 152 LEU HG H 1.49 0.01 1 1413 152 152 LEU HD1 H 1.02 0.01 1 1414 152 152 LEU C C 175.97 0.3 1 1415 152 152 LEU CA C 54.07 0.3 1 1416 152 152 LEU CB C 42.42 0.3 1 1417 152 152 LEU CG C 26.12 0.3 1 1418 152 152 LEU CD1 C 25.56 0.3 1 1419 152 152 LEU N N 130.54 0.5 1 1420 153 153 GLN H H 10.00 0.01 1 1421 153 153 GLN HA H 5.19 0.01 1 1422 153 153 GLN HB2 H 2.17 0.01 2 1423 153 153 GLN HB3 H 2.05 0.01 2 1424 153 153 GLN HG2 H 2.32 0.01 1 1425 153 153 GLN HG3 H 2.32 0.01 1 1426 153 153 GLN C C 171.13 0.3 1 1427 153 153 GLN CA C 54.34 0.3 1 1428 153 153 GLN CB C 31.57 0.3 1 1429 153 153 GLN CG C 35.57 0.3 1 1430 153 153 GLN N N 127.14 0.5 1 1431 154 154 GLU H H 8.91 0.01 1 1432 154 154 GLU HA H 5.43 0.01 1 1433 154 154 GLU HB2 H 2.14 0.01 1 1434 154 154 GLU HB3 H 2.14 0.01 1 1435 154 154 GLU HG2 H 2.33 0.01 2 1436 154 154 GLU HG3 H 2.22 0.01 2 1437 154 154 GLU C C 174.89 0.3 1 1438 154 154 GLU CA C 55.21 0.3 1 1439 154 154 GLU CB C 30.48 0.3 1 1440 154 154 GLU CG C 36.86 0.3 1 1441 154 154 GLU N N 121.72 0.5 1 1442 155 155 TRP H H 9.85 0.01 1 1443 155 155 TRP HA H 5.56 0.01 1 1444 155 155 TRP HB2 H 2.85 0.01 2 1445 155 155 TRP HB3 H 3.38 0.01 2 1446 155 155 TRP C C 177.02 0.3 1 1447 155 155 TRP CA C 55.89 0.3 1 1448 155 155 TRP CB C 32.39 0.3 1 1449 155 155 TRP N N 125.99 0.5 1 1450 156 156 VAL H H 10.09 0.01 1 1451 156 156 VAL HA H 5.50 0.01 1 1452 156 156 VAL HB H 2.44 0.01 1 1453 156 156 VAL HG1 H 1.18 0.01 2 1454 156 156 VAL HG2 H 1.24 0.01 2 1455 156 156 VAL C C 174.79 0.3 1 1456 156 156 VAL CA C 60.00 0.3 1 1457 156 156 VAL CB C 35.35 0.3 1 1458 156 156 VAL CG1 C 19.76 0.3 2 1459 156 156 VAL CG2 C 21.23 0.3 2 1460 156 156 VAL N N 118.14 0.5 1 1461 157 157 ARG H H 8.05 0.01 1 1462 157 157 ARG HA H 5.47 0.01 1 1463 157 157 ARG HB2 H 2.11 0.01 2 1464 157 157 ARG HB3 H 1.19 0.01 2 1465 157 157 ARG HG2 H 1.70 0.01 2 1466 157 157 ARG HG3 H 1.68 0.01 2 1467 157 157 ARG HD2 H 3.37 0.01 2 1468 157 157 ARG HD3 H 3.34 0.01 2 1469 157 157 ARG C C 177.42 0.3 1 1470 157 157 ARG CA C 56.06 0.3 1 1471 157 157 ARG CB C 28.76 0.3 1 1472 157 157 ARG CG C 29.22 0.3 1 1473 157 157 ARG CD C 42.40 0.3 1 1474 157 157 ARG N N 126.73 0.5 1 1475 158 158 SER H H 8.54 0.01 1 1476 158 158 SER HA H 4.51 0.01 1 1477 158 158 SER HB2 H 3.90 0.01 1 1478 158 158 SER HB3 H 3.90 0.01 1 1479 158 158 SER C C 174.82 0.3 1 1480 158 158 SER CA C 58.43 0.3 1 1481 158 158 SER CB C 63.72 0.3 1 1482 158 158 SER N N 121.23 0.5 1 1483 159 159 ALA H H 8.65 0.01 1 1484 159 159 ALA HA H 4.59 0.01 1 1485 159 159 ALA HB H 1.63 0.01 1 1486 159 159 ALA C C 178.06 0.3 1 1487 159 159 ALA CA C 52.81 0.3 1 1488 159 159 ALA CB C 19.31 0.3 1 1489 159 159 ALA N N 126.48 0.5 1 1490 160 160 SER H H 8.40 0.01 1 1491 160 160 SER HA H 4.71 0.01 1 1492 160 160 SER HB2 H 4.14 0.01 1 1493 160 160 SER HB3 H 4.14 0.01 1 1494 160 160 SER C C 175.19 0.3 1 1495 160 160 SER CA C 58.49 0.3 1 1496 160 160 SER CB C 63.81 0.3 1 1497 160 160 SER N N 114.62 0.5 1 1498 161 161 SER H H 8.41 0.01 1 1499 161 161 SER HA H 4.57 0.01 1 1500 161 161 SER HB2 H 4.09 0.01 1 1501 161 161 SER HB3 H 4.09 0.01 1 1502 161 161 SER C C 173.97 0.3 1 1503 161 161 SER CA C 57.23 0.3 1 1504 161 161 SER CB C 63.87 0.3 1 1505 161 161 SER N N 118.19 0.5 1 1506 162 162 ARG H H 8.11 0.01 1 1507 162 162 ARG HA H 4.39 0.01 1 1508 162 162 ARG HB2 H 1.97 0.01 2 1509 162 162 ARG HB3 H 2.08 0.01 2 1510 162 162 ARG HG2 H 1.80 0.01 1 1511 162 162 ARG HG3 H 1.80 0.01 1 1512 162 162 ARG HD2 H 3.43 0.01 1 1513 162 162 ARG HD3 H 3.43 0.01 1 1514 162 162 ARG CA C 57.74 0.3 1 1515 162 162 ARG CB C 31.01 0.3 1 1516 162 162 ARG CG C 27.24 0.3 1 1517 162 162 ARG CD C 43.75 0.3 1 1518 162 162 ARG N N 128.14 0.5 1 stop_ save_