data_5756 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance Assignments for the 21 kDa engineered fluorescein-binding lipocalin FluA ; _BMRB_accession_number 5756 _BMRB_flat_file_name bmr5756.str _Entry_type original _Submission_date 2003-03-26 _Accession_date 2003-03-27 _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 Liu Gaohua . . 2 Mills Jeffrey L. . 3 Hess Tracy A. . 4 Kim Seho . . 5 Skalicky Jack J. . 6 Sukumaran Dinesh K. . 7 Kupce Eriks . . 8 Skerra Arne . . 9 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1088 "13C chemical shifts" 809 "15N chemical shifts" 185 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-08-07 original author 'original release' 2004-04-23 update BMRB 'addition of relationship loop' stop_ loop_ _Related_BMRB_accession_number _Relationship 6182 'FluA(R95K) complexed with fluorescein' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Resonace Assignments for the 21 kDa engineered fluorescein-binding lipocalin FluA ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Gaohua . . 2 Mills Jeffrey L. . 3 Hess Tracy A. . 4 Kim Seho . . 5 Skalicky Jack J. . 6 Sukumaran Dinesh K. . 7 Kupce Eriks . . 8 Skerra Arne . . 9 Szyperski Thomas . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 27 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 187 _Page_last 188 _Year 2003 _Details . loop_ _Keyword anticalin 'molecular recognition' 'Protein Design' 'reduced dimensionality NMR' 'resonance assignment' stop_ save_ ################################## # Molecular system description # ################################## save_system_FluA _Saveframe_category molecular_system _Mol_system_name 'fluorescein-binding lipocalin' _Abbreviation_common FluA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FluA subunit1, FluA monomer' $FluA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FluA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'fluorescein-bind lipocalin' _Abbreviation_common FluA _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 184 _Mol_residue_sequence ; DVYHDGACPEVKPVDNFDWS QYHGKWWEVAKYPSPNGKYG KCGWAEYTPEGKSVKVSRYD VIHGKEYFMEGTAYPVGDSK IGKIYHSRTVGGYTKKTVFN VLSTDNKNYIIGYSCRYDED KKGHWDHVWVLSRSMVLTGE AKTAVENYLIGSPVVDSQKL VYSDFSEAACKVNNSNWSHP QFEK ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 VAL 3 TYR 4 HIS 5 ASP 6 GLY 7 ALA 8 CYS 9 PRO 10 GLU 11 VAL 12 LYS 13 PRO 14 VAL 15 ASP 16 ASN 17 PHE 18 ASP 19 TRP 20 SER 21 GLN 22 TYR 23 HIS 24 GLY 25 LYS 26 TRP 27 TRP 28 GLU 29 VAL 30 ALA 31 LYS 32 TYR 33 PRO 34 SER 35 PRO 36 ASN 37 GLY 38 LYS 39 TYR 40 GLY 41 LYS 42 CYS 43 GLY 44 TRP 45 ALA 46 GLU 47 TYR 48 THR 49 PRO 50 GLU 51 GLY 52 LYS 53 SER 54 VAL 55 LYS 56 VAL 57 SER 58 ARG 59 TYR 60 ASP 61 VAL 62 ILE 63 HIS 64 GLY 65 LYS 66 GLU 67 TYR 68 PHE 69 MET 70 GLU 71 GLY 72 THR 73 ALA 74 TYR 75 PRO 76 VAL 77 GLY 78 ASP 79 SER 80 LYS 81 ILE 82 GLY 83 LYS 84 ILE 85 TYR 86 HIS 87 SER 88 ARG 89 THR 90 VAL 91 GLY 92 GLY 93 TYR 94 THR 95 LYS 96 LYS 97 THR 98 VAL 99 PHE 100 ASN 101 VAL 102 LEU 103 SER 104 THR 105 ASP 106 ASN 107 LYS 108 ASN 109 TYR 110 ILE 111 ILE 112 GLY 113 TYR 114 SER 115 CYS 116 ARG 117 TYR 118 ASP 119 GLU 120 ASP 121 LYS 122 LYS 123 GLY 124 HIS 125 TRP 126 ASP 127 HIS 128 VAL 129 TRP 130 VAL 131 LEU 132 SER 133 ARG 134 SER 135 MET 136 VAL 137 LEU 138 THR 139 GLY 140 GLU 141 ALA 142 LYS 143 THR 144 ALA 145 VAL 146 GLU 147 ASN 148 TYR 149 LEU 150 ILE 151 GLY 152 SER 153 PRO 154 VAL 155 VAL 156 ASP 157 SER 158 GLN 159 LYS 160 LEU 161 VAL 162 TYR 163 SER 164 ASP 165 PHE 166 SER 167 GLU 168 ALA 169 ALA 170 CYS 171 LYS 172 VAL 173 ASN 174 ASN 175 SER 176 ASN 177 TRP 178 SER 179 HIS 180 PRO 181 GLN 182 PHE 183 GLU 184 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 6182 FluA(R95K) 100.00 184 100.00 100.00 6.78e-132 PDB 1N0S "Engineered Lipocalin Flua In Complex With Fluorescein" 100.00 184 99.46 100.00 1.07e-131 PDB 1T0V "Nmr Solution Structure Of The Engineered Lipocalin Flua(R95k) Northeast Structural Genomics Target Or17" 100.00 184 100.00 100.00 6.78e-132 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FluA 'cabbage butterfly' 7116 Eukaryota Metazoa Pieris brassicae 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 $FluA 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FluA 0.7 mM '[U-95% 13C; U-90% 15N]' stop_ save_ save_Sample2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FluA 0.7 mM '[U-90% 15N]' stop_ save_ save_sample3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FluA 0.7 mM '[U-50% 2H; U-90% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TROSY' _Sample_label . save_ save_HNNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNNCACB _Sample_label . save_ save_CBCA(CO)NHN_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NHN _Sample_label . save_ save_HC(C)HCOSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)HCOSY _Sample_label . save_ save_HC(C)HTOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)HTOCSY _Sample_label . save_ save_RD_HNNCAHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'RD HNNCAHA' _Sample_label . save_ save_RD_HACA(CO)NHN_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'RD HACA(CO)NHN' _Sample_label . save_ save_RD_HBCBHACA(CO)NHN_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'RD HBCBHACA(CO)NHN' _Sample_label . save_ save_RD_HBCB(CGCD)HD_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'RD HBCB(CGCD)HD' _Sample_label . save_ save_RD_1H-TOCSY_relayed_HCH_COSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'RD 1H-TOCSY relayed HCH COSY' _Sample_label . save_ save_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _Sample_label . save_ save_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_1H-15N_NOESY-TROSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-TROSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TROSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NHN _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)HCOSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HC(C)HTOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'RD HNNCAHA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'RD HACA(CO)NHN' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'RD HBCBHACA(CO)NHN' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 'RD HBCB(CGCD)HD' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name 'RD 1H-TOCSY relayed HCH COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY-TROSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.4 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample1 stop_ _Sample_conditions_label $Ex-cond1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'FluA subunit1, FluA monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 VAL N N 119.3 . 1 2 . 2 VAL H H 9.46 . 1 3 . 2 VAL CA C 61.1 . 1 4 . 2 VAL HA H 4.46 . 1 5 . 2 VAL CB C 35.3 . 1 6 . 2 VAL HB H 1.91 . 1 7 . 2 VAL CG1 C 21.0 . 1 8 . 2 VAL CG2 C 21.0 . 1 9 . 2 VAL HG1 H 0.56 . 1 10 . 2 VAL HG2 H 0.56 . 1 11 . 2 VAL C C 173.7 . 1 12 . 3 TYR N N 128.2 . 1 13 . 3 TYR H H 8.26 . 1 14 . 3 TYR CA C 57.5 . 1 15 . 3 TYR HA H 4.10 . 1 16 . 3 TYR CB C 38.4 . 1 17 . 3 TYR HB2 H 0.89 . 2 18 . 3 TYR HB3 H 1.91 . 2 19 . 3 TYR HD1 H 5.59 . 1 20 . 3 TYR HD2 H 5.59 . 1 21 . 3 TYR HE1 H 6.16 . 1 22 . 3 TYR HE2 H 6.16 . 1 23 . 3 TYR CD1 C 132.5 . 1 24 . 3 TYR CE1 C 117.2 . 1 25 . 3 TYR CE2 C 117.2 . 1 26 . 3 TYR CD2 C 132.5 . 1 27 . 3 TYR C C 174.8 . 1 28 . 4 HIS N N 123.7 . 1 29 . 4 HIS H H 7.59 . 1 30 . 4 HIS CA C 53.3 . 1 31 . 4 HIS HA H 4.08 . 1 32 . 4 HIS CB C 32.3 . 1 33 . 4 HIS HB2 H 1.47 . 2 34 . 4 HIS HB3 H 2.75 . 2 35 . 4 HIS CD2 C 119.5 . 1 36 . 4 HIS CE1 C 135.5 . 1 37 . 4 HIS HD2 H 6.89 . 1 38 . 4 HIS HE1 H 7.84 . 1 39 . 4 HIS C C 172.0 . 1 40 . 5 ASP N N 119.9 . 1 41 . 5 ASP H H 8.23 . 1 42 . 5 ASP CA C 55.3 . 1 43 . 5 ASP HA H 4.50 . 1 44 . 5 ASP CB C 42.1 . 1 45 . 5 ASP HB2 H 2.54 . 2 46 . 5 ASP HB3 H 2.74 . 2 47 . 5 ASP C C 176.9 . 1 48 . 6 GLY N N 107.6 . 1 49 . 6 GLY H H 8.35 . 1 50 . 6 GLY CA C 44.6 . 1 51 . 6 GLY HA2 H 3.98 . 2 52 . 6 GLY HA3 H 4.45 . 2 53 . 6 GLY C C 175.3 . 1 54 . 7 ALA N N 123.1 . 1 55 . 7 ALA H H 8.49 . 1 56 . 7 ALA CA C 51.8 . 1 57 . 7 ALA HA H 4.16 . 1 58 . 7 ALA HB H 1.19 . 1 59 . 7 ALA CB C 19.0 . 1 60 . 7 ALA C C 178.0 . 1 61 . 8 CYS N N 116.4 . 1 62 . 8 CYS H H 8.20 . 1 63 . 8 CYS CA C 55.9 . 1 64 . 8 CYS HA H 3.29 . 1 65 . 8 CYS CB C 41.3 . 1 66 . 8 CYS HB2 H 2.68 . 2 67 . 8 CYS HB3 H 3.25 . 2 68 . 9 PRO CD C 50.5 . 1 69 . 9 PRO CA C 62.0 . 1 70 . 9 PRO HA H 4.30 . 1 71 . 9 PRO CB C 31.8 . 1 72 . 9 PRO HB2 H 1.63 . 2 73 . 9 PRO HB3 H 2.05 . 2 74 . 9 PRO CG C 27.1 . 1 75 . 9 PRO HG2 H 1.80 . 2 76 . 9 PRO HG3 H 2.00 . 2 77 . 9 PRO HD2 H 3.07 . 2 78 . 9 PRO HD3 H 3.80 . 2 79 . 9 PRO C C 175.8 . 1 80 . 10 GLU N N 120.8 . 1 81 . 10 GLU H H 8.33 . 1 82 . 10 GLU CA C 55.9 . 1 83 . 10 GLU HA H 4.24 . 1 84 . 10 GLU CB C 29.1 . 1 85 . 10 GLU HB2 H 1.84 . 1 86 . 10 GLU HB3 H 1.84 . 1 87 . 10 GLU CG C 35.9 . 1 88 . 10 GLU HG2 H 2.19 . 2 89 . 10 GLU HG3 H 2.07 . 2 90 . 10 GLU C C 176.1 . 1 91 . 11 VAL N N 120.0 . 1 92 . 11 VAL H H 8.05 . 1 93 . 11 VAL CA C 59.6 . 1 94 . 11 VAL HA H 4.30 . 1 95 . 11 VAL CB C 34.4 . 1 96 . 11 VAL HB H 1.74 . 1 97 . 11 VAL HG1 H 0.64 . 2 98 . 11 VAL HG2 H 0.50 . 2 99 . 11 VAL CG1 C 18.9 . 1 100 . 11 VAL CG2 C 21.5 . 1 101 . 11 VAL C C 174.3 . 1 102 . 12 LYS N N 125.1 . 1 103 . 12 LYS H H 8.53 . 1 104 . 12 LYS CA C 52.1 . 1 105 . 12 LYS HA H 4.83 . 1 106 . 12 LYS CB C 33.0 . 1 107 . 12 LYS HB2 H 1.63 . 2 108 . 12 LYS HB3 H 1.78 . 2 109 . 12 LYS CG C 24.2 . 1 110 . 12 LYS HG2 H 1.35 . 1 111 . 12 LYS HG3 H 1.35 . 1 112 . 12 LYS CD C 28.9 . 1 113 . 12 LYS HD2 H 1.65 . 1 114 . 12 LYS HD3 H 1.65 . 1 115 . 12 LYS CE C 41.8 . 1 116 . 12 LYS HE2 H 2.95 . 1 117 . 12 LYS HE3 H 2.95 . 1 118 . 13 PRO CD C 50.4 . 1 119 . 13 PRO CA C 61.4 . 1 120 . 13 PRO HA H 4.56 . 1 121 . 13 PRO CB C 33.0 . 1 122 . 13 PRO HB2 H 1.89 . 2 123 . 13 PRO HB3 H 2.13 . 2 124 . 13 PRO CG C 26.7 . 1 125 . 13 PRO HG2 H 1.83 . 1 126 . 13 PRO HG3 H 1.83 . 1 127 . 13 PRO HD2 H 3.72 . 1 128 . 13 PRO HD3 H 3.72 . 1 129 . 13 PRO C C 176.8 . 1 130 . 14 VAL N N 111.6 . 1 131 . 14 VAL H H 7.95 . 1 132 . 14 VAL CA C 62.0 . 1 133 . 14 VAL HA H 4.24 . 1 134 . 14 VAL CB C 31.7 . 1 135 . 14 VAL HB H 2.56 . 1 136 . 14 VAL HG1 H 0.92 . 2 137 . 14 VAL HG2 H 1.00 . 2 138 . 14 VAL CG1 C 18.7 . 1 139 . 14 VAL CG2 C 22.0 . 1 140 . 14 VAL C C 175.0 . 1 141 . 15 ASP N N 117.6 . 1 142 . 15 ASP H H 8.15 . 1 143 . 15 ASP CA C 52.9 . 1 144 . 15 ASP HA H 5.02 . 1 145 . 15 ASP CB C 41.1 . 1 146 . 15 ASP HB2 H 2.54 . 2 147 . 15 ASP HB3 H 2.91 . 2 148 . 15 ASP C C 175.7 . 1 149 . 16 ASN N N 119.0 . 1 150 . 16 ASN H H 7.85 . 1 151 . 16 ASN CA C 51.5 . 1 152 . 16 ASN HA H 4.76 . 1 153 . 16 ASN CB C 37.9 . 1 154 . 16 ASN HB2 H 2.61 . 2 155 . 16 ASN HB3 H 2.94 . 2 156 . 16 ASN ND2 N 109.6 . 1 157 . 16 ASN HD21 H 7.43 . 2 158 . 16 ASN HD22 H 6.67 . 2 159 . 16 ASN C C 176.2 . 1 160 . 17 PHE N N 125.5 . 1 161 . 17 PHE H H 9.81 . 1 162 . 17 PHE CA C 59.5 . 1 163 . 17 PHE HA H 4.21 . 1 164 . 17 PHE CB C 38.6 . 1 165 . 17 PHE HB2 H 3.16 . 2 166 . 17 PHE HB3 H 2.52 . 2 167 . 17 PHE HD1 H 7.20 . 1 168 . 17 PHE HD2 H 7.20 . 1 169 . 17 PHE HE1 H 6.73 . 1 170 . 17 PHE HE2 H 6.73 . 1 171 . 17 PHE CD1 C 131.1 . 1 172 . 17 PHE CE1 C 131.3 . 1 173 . 17 PHE CZ C 130.6 . 1 174 . 17 PHE HZ H 7.17 . 1 175 . 17 PHE CE2 C 131.1 . 1 176 . 17 PHE CD2 C 131.1 . 1 177 . 17 PHE C C 174.7 . 1 178 . 18 ASP N N 125.4 . 1 179 . 18 ASP H H 7.42 . 1 180 . 18 ASP CA C 51.2 . 1 181 . 18 ASP HA H 4.59 . 1 182 . 18 ASP CB C 39.5 . 1 183 . 18 ASP HB2 H 2.27 . 2 184 . 18 ASP HB3 H 2.52 . 2 185 . 18 ASP C C 175.1 . 1 186 . 19 TRP N N 125.9 . 1 187 . 19 TRP H H 8.60 . 1 188 . 19 TRP CA C 59.5 . 1 189 . 19 TRP HA H 3.87 . 1 190 . 19 TRP CB C 29.6 . 1 191 . 19 TRP HB2 H 3.41 . 2 192 . 19 TRP HB3 H 3.22 . 2 193 . 19 TRP CD1 C 127.1 . 1 194 . 19 TRP CE3 C 119.9 . 1 195 . 19 TRP NE1 N 129.0 . 1 196 . 19 TRP HD1 H 7.21 . 1 197 . 19 TRP HE3 H 6.70 . 1 198 . 19 TRP CZ3 C 121.4 . 1 199 . 19 TRP CZ2 C 115.1 . 1 200 . 19 TRP HE1 H 10.03 . 1 201 . 19 TRP HZ3 H 6.41 . 1 202 . 19 TRP CH2 C 122.8 . 1 203 . 19 TRP HZ2 H 7.53 . 1 204 . 19 TRP HH2 H 6.84 . 1 205 . 19 TRP C C 175.0 . 1 206 . 20 SER N N 113.1 . 1 207 . 20 SER H H 8.12 . 1 208 . 20 SER CA C 60.9 . 1 209 . 20 SER HA H 4.14 . 1 210 . 20 SER CB C 62.7 . 1 211 . 20 SER HB2 H 3.98 . 1 212 . 20 SER HB3 H 3.98 . 1 213 . 20 SER C C 175.5 . 1 214 . 21 GLN N N 118.7 . 1 215 . 21 GLN H H 7.56 . 1 216 . 21 GLN CA C 55.4 . 1 217 . 21 GLN HA H 4.22 . 1 218 . 21 GLN CB C 27.7 . 1 219 . 21 GLN HB2 H 1.81 . 2 220 . 21 GLN HB3 H 2.15 . 2 221 . 21 GLN CG C 36.1 . 1 222 . 21 GLN HG2 H 2.26 . 2 223 . 21 GLN HG3 H 2.36 . 2 224 . 21 GLN NE2 N 112.8 . 1 225 . 21 GLN HE21 H 7.08 . 2 226 . 21 GLN HE22 H 6.59 . 2 227 . 21 GLN C C 176.0 . 1 228 . 22 TYR N N 123.7 . 1 229 . 22 TYR H H 7.33 . 1 230 . 22 TYR CA C 55.1 . 1 231 . 22 TYR HA H 4.26 . 1 232 . 22 TYR CB C 35.9 . 1 233 . 22 TYR HB2 H 2.02 . 2 234 . 22 TYR HB3 H 2.46 . 2 235 . 22 TYR HD1 H 5.66 . 1 236 . 22 TYR HD2 H 5.66 . 1 237 . 22 TYR HE1 H 5.84 . 1 238 . 22 TYR HE2 H 5.84 . 1 239 . 22 TYR CD1 C 130.7 . 1 240 . 22 TYR CE1 C 117.0 . 1 241 . 22 TYR CE2 C 116.993 . 1 242 . 22 TYR CD2 C 130.7 . 1 243 . 22 TYR C C 173.2 . 1 244 . 23 HIS N N 115.8 . 1 245 . 23 HIS H H 7.99 . 1 246 . 23 HIS CA C 55.3 . 1 247 . 23 HIS HA H 4.98 . 1 248 . 23 HIS CB C 31.9 . 1 249 . 23 HIS HB2 H 3.23 . 2 250 . 23 HIS HB3 H 3.05 . 2 251 . 23 HIS CD2 C 119.6 . 1 252 . 23 HIS CE1 C 135.6 . 1 253 . 23 HIS HD2 H 6.03 . 1 254 . 23 HIS HE1 H 7.89 . 1 255 . 23 HIS C C 175.5 . 1 256 . 24 GLY N N 112.8 . 1 257 . 24 GLY H H 9.20 . 1 258 . 24 GLY CA C 45.1 . 1 259 . 24 GLY HA2 H 4.06 . 2 260 . 24 GLY HA3 H 4.18 . 2 261 . 24 GLY C C 172.2 . 1 262 . 25 LYS N N 121.4 . 1 263 . 25 LYS H H 8.36 . 1 264 . 25 LYS CA C 56.1 . 1 265 . 25 LYS HA H 4.97 . 1 266 . 25 LYS CB C 33.9 . 1 267 . 25 LYS HB2 H 1.40 . 1 268 . 25 LYS HB3 H 1.40 . 1 269 . 25 LYS CG C 25.0 . 1 270 . 25 LYS HG2 H 1.30 . 2 271 . 25 LYS HG3 H 1.40 . 2 272 . 25 LYS CD C 28.9 . 1 273 . 25 LYS HD2 H 1.70 . 2 274 . 25 LYS HD3 H 1.80 . 2 275 . 25 LYS CE C 41.8 . 1 276 . 25 LYS HE2 H 3.00 . 2 277 . 25 LYS HE3 H 3.10 . 2 278 . 26 TRP CD1 C 126.7 . 1 279 . 26 TRP CE3 C 119.1 . 1 280 . 26 TRP NE1 N 125.9 . 1 281 . 26 TRP HD1 H 6.97 . 1 282 . 26 TRP HE3 H 7.17 . 1 283 . 26 TRP CZ3 C 121.0 . 1 284 . 26 TRP CZ2 C 114.5 . 1 285 . 26 TRP HE1 H 8.86 . 1 286 . 26 TRP HZ3 H 6.57 . 1 287 . 26 TRP CH2 C 123.5 . 1 288 . 26 TRP HZ2 H 7.46 . 1 289 . 26 TRP HH2 H 6.59 . 1 290 . 27 TRP CD1 C 127.3 . 1 291 . 27 TRP CE3 C 119.6 . 1 292 . 27 TRP NE1 N 127.5 . 1 293 . 27 TRP HD1 H 6.93 . 1 294 . 27 TRP HE3 H 6.99 . 1 295 . 27 TRP CZ3 C 121.8 . 1 296 . 27 TRP CZ2 C 113.8 . 1 297 . 27 TRP HE1 H 9.58 . 1 298 . 27 TRP HZ3 H 6.74 . 1 299 . 27 TRP CH2 C 124.1 . 1 300 . 27 TRP HZ2 H 6.55 . 1 301 . 27 TRP HH2 H 6.51 . 1 302 . 28 GLU CA C 55.5 . 1 303 . 28 GLU HA H 5.31 . 1 304 . 28 GLU CB C 30.0 . 1 305 . 28 GLU HB2 H 2.20 . 1 306 . 28 GLU HB3 H 2.20 . 1 307 . 28 GLU CG C 34.0 . 1 308 . 28 GLU HG2 H 2.30 . 2 309 . 28 GLU HG3 H 2.40 . 2 310 . 28 GLU C C 175.0 . 1 311 . 29 VAL N N 121.8 . 1 312 . 29 VAL H H 8.56 . 1 313 . 29 VAL CA C 63.7 . 1 314 . 29 VAL HA H 4.72 . 1 315 . 29 VAL CB C 32.2 . 1 316 . 29 VAL HB H 2.77 . 1 317 . 29 VAL HG1 H 1.17 . 2 318 . 29 VAL HG2 H 1.43 . 2 319 . 29 VAL CG1 C 20.0 . 1 320 . 29 VAL CG2 C 23.2 . 1 321 . 29 VAL C C 175.9 . 1 322 . 30 ALA N N 119.0 . 1 323 . 30 ALA H H 7.94 . 1 324 . 30 ALA CA C 51.3 . 1 325 . 30 ALA HA H 5.26 . 1 326 . 30 ALA HB H 0.75 . 1 327 . 30 ALA CB C 21.6 . 1 328 . 30 ALA C C 177.2 . 1 329 . 31 LYS N N 112.9 . 1 330 . 31 LYS H H 8.12 . 1 331 . 31 LYS CA C 55.7 . 1 332 . 31 LYS HA H 4.99 . 1 333 . 31 LYS CB C 34.0 . 1 334 . 31 LYS HB2 H 1.90 . 2 335 . 31 LYS HB3 H 2.02 . 2 336 . 31 LYS CG C 25.0 . 1 337 . 31 LYS HG2 H 1.70 . 1 338 . 31 LYS HG3 H 1.70 . 1 339 . 31 LYS CD C 28.9 . 1 340 . 31 LYS HD2 H 1.80 . 1 341 . 31 LYS HD3 H 1.80 . 1 342 . 31 LYS CE C 41.8 . 1 343 . 31 LYS HE2 H 3.00 . 1 344 . 31 LYS HE3 H 3.00 . 1 345 . 31 LYS C C 176.2 . 1 346 . 32 TYR N N 118.3 . 1 347 . 32 TYR H H 7.49 . 1 348 . 32 TYR CA C 52.7 . 1 349 . 32 TYR HA H 5.27 . 1 350 . 32 TYR CB C 36.1 . 1 351 . 32 TYR HB2 H 3.60 . 2 352 . 32 TYR HB3 H 3.26 . 2 353 . 32 TYR HD1 H 7.09 . 1 354 . 32 TYR HD2 H 7.09 . 1 355 . 32 TYR HE1 H 6.98 . 1 356 . 32 TYR HE2 H 6.98 . 1 357 . 32 TYR CD1 C 133.6 . 1 358 . 32 TYR CE1 C 118.2 . 1 359 . 32 TYR CE2 C 118.246 . 1 360 . 32 TYR CD2 C 133.6 . 1 361 . 33 PRO CD C 49.5 . 1 362 . 33 PRO CA C 61.9 . 1 363 . 33 PRO HA H 3.53 . 1 364 . 33 PRO CB C 32.4 . 1 365 . 33 PRO HB2 H 1.69 . 1 366 . 33 PRO HB3 H 1.69 . 1 367 . 33 PRO CG C 27.3 . 1 368 . 33 PRO HG2 H 1.76 . 1 369 . 33 PRO HG3 H 1.76 . 1 370 . 33 PRO HD2 H 3.17 . 2 371 . 33 PRO HD3 H 4.14 . 2 372 . 33 PRO C C 174.5 . 1 373 . 34 SER N N 112.8 . 1 374 . 34 SER H H 6.45 . 1 375 . 34 SER CA C 56.6 . 1 376 . 34 SER HA H 5.15 . 1 377 . 34 SER CB C 64.3 . 1 378 . 34 SER HB2 H 3.98 . 1 379 . 34 SER HB3 H 3.98 . 1 380 . 35 PRO CD C 51.2 . 1 381 . 35 PRO CA C 64.1 . 1 382 . 35 PRO HA H 4.50 . 1 383 . 35 PRO CB C 32.4 . 1 384 . 35 PRO HB2 H 1.94 . 2 385 . 35 PRO HB3 H 2.47 . 2 386 . 35 PRO CG C 27.6 . 1 387 . 35 PRO HG2 H 2.08 . 2 388 . 35 PRO HG3 H 2.21 . 2 389 . 35 PRO HD2 H 3.76 . 2 390 . 35 PRO HD3 H 4.21 . 2 391 . 36 ASN N N 115.1 . 1 392 . 36 ASN H H 8.67 . 1 393 . 36 ASN CA C 53.5 . 1 394 . 36 ASN HA H 4.53 . 1 395 . 36 ASN CB C 37.5 . 1 396 . 36 ASN HB2 H 2.92 . 1 397 . 36 ASN HB3 H 2.92 . 1 398 . 36 ASN ND2 N 112.5 . 1 399 . 36 ASN HD21 H 7.58 . 2 400 . 36 ASN HD22 H 6.95 . 2 401 . 36 ASN C C 176.2 . 1 402 . 37 GLY N N 105.7 . 1 403 . 37 GLY H H 8.47 . 1 404 . 37 GLY CA C 46.1 . 1 405 . 37 GLY HA2 H 3.86 . 2 406 . 37 GLY HA3 H 4.11 . 2 407 . 37 GLY C C 174.9 . 1 408 . 38 LYS N N 121.5 . 1 409 . 38 LYS H H 7.52 . 1 410 . 38 LYS CA C 55.1 . 1 411 . 38 LYS HA H 4.18 . 1 412 . 38 LYS CB C 30.1 . 1 413 . 38 LYS HB2 H 1.57 . 2 414 . 38 LYS HB3 H 1.73 . 2 415 . 38 LYS CG C 25.0 . 1 416 . 38 LYS HG2 H 1.24 . 2 417 . 38 LYS HG3 H 1.15 . 2 418 . 38 LYS CD C 28.9 . 1 419 . 38 LYS HD2 H 1.54 . 1 420 . 38 LYS HD3 H 1.54 . 1 421 . 38 LYS CE C 41.8 . 1 422 . 38 LYS HE2 H 2.83 . 1 423 . 38 LYS HE3 H 2.83 . 1 424 . 38 LYS C C 173.9 . 1 425 . 39 TYR N N 117.3 . 1 426 . 39 TYR H H 7.83 . 1 427 . 39 TYR CA C 56.1 . 1 428 . 39 TYR HA H 4.49 . 1 429 . 39 TYR CB C 39.6 . 1 430 . 39 TYR HB2 H 3.14 . 2 431 . 39 TYR HB3 H 2.89 . 2 432 . 39 TYR HD1 H 6.98 . 1 433 . 39 TYR HD2 H 6.98 . 1 434 . 39 TYR HE1 H 6.88 . 1 435 . 39 TYR HE2 H 6.88 . 1 436 . 39 TYR CD1 C 133.3 . 1 437 . 39 TYR CE1 C 118.2 . 1 438 . 39 TYR CE2 C 118.117 . 1 439 . 39 TYR CD2 C 133.3 . 1 440 . 39 TYR C C 173.2 . 1 441 . 40 GLY N N 110.6 . 1 442 . 40 GLY H H 9.05 . 1 443 . 40 GLY CA C 44.2 . 1 444 . 40 GLY HA2 H 3.91 . 2 445 . 40 GLY HA3 H 4.44 . 2 446 . 40 GLY C C 173.8 . 1 447 . 41 LYS N N 119.2 . 1 448 . 41 LYS H H 8.31 . 1 449 . 41 LYS CA C 54.7 . 1 450 . 41 LYS HA H 4.82 . 1 451 . 41 LYS CB C 34.2 . 1 452 . 41 LYS HB2 H 1.50 . 2 453 . 41 LYS HB3 H 2.29 . 2 454 . 41 LYS CG C 25.2 . 1 455 . 41 LYS HG2 H 1.43 . 1 456 . 41 LYS HG3 H 1.43 . 1 457 . 41 LYS CD C 28.9 . 1 458 . 41 LYS HD2 H 1.73 . 1 459 . 41 LYS HD3 H 1.73 . 1 460 . 41 LYS CE C 41.8 . 1 461 . 41 LYS HE2 H 3.00 . 2 462 . 41 LYS HE3 H 3.10 . 2 463 . 41 LYS C C 174.4 . 1 464 . 42 CYS N N 121.9 . 1 465 . 42 CYS H H 9.18 . 1 466 . 42 CYS CA C 57.2 . 1 467 . 42 CYS HA H 4.97 . 1 468 . 42 CYS CB C 49.3 . 1 469 . 42 CYS HB2 H 2.41 . 2 470 . 42 CYS HB3 H 3.88 . 2 471 . 42 CYS C C 172.5 . 1 472 . 43 GLY N N 110.8 . 1 473 . 43 GLY H H 8.73 . 1 474 . 43 GLY CA C 46.0 . 1 475 . 43 GLY HA2 H 3.88 . 2 476 . 43 GLY HA3 H 5.32 . 2 477 . 43 GLY C C 173.4 . 1 478 . 44 TRP N N 116.3 . 1 479 . 44 TRP H H 8.58 . 1 480 . 44 TRP CA C 56.1 . 1 481 . 44 TRP HA H 5.16 . 1 482 . 44 TRP CB C 31.8 . 1 483 . 44 TRP HB2 H 3.31 . 2 484 . 44 TRP HB3 H 2.73 . 2 485 . 44 TRP CD1 C 126.7 . 1 486 . 44 TRP CE3 C 120.2 . 1 487 . 44 TRP NE1 N 130.5 . 1 488 . 44 TRP HD1 H 6.75 . 1 489 . 44 TRP HE3 H 7.00 . 1 490 . 44 TRP CZ3 C 121.9 . 1 491 . 44 TRP CZ2 C 114.7 . 1 492 . 44 TRP HE1 H 9.62 . 1 493 . 44 TRP HZ3 H 7.11 . 1 494 . 44 TRP CH2 C 124.3 . 1 495 . 44 TRP HZ2 H 6.67 . 1 496 . 44 TRP HH2 H 6.88 . 1 497 . 44 TRP C C 173.1 . 1 498 . 45 ALA N N 121.2 . 1 499 . 45 ALA H H 9.41 . 1 500 . 45 ALA CA C 50.4 . 1 501 . 45 ALA HA H 5.27 . 1 502 . 45 ALA HB H 1.02 . 1 503 . 45 ALA CB C 23.5 . 1 504 . 45 ALA C C 175.0 . 1 505 . 46 GLU N N 120.1 . 1 506 . 46 GLU H H 8.94 . 1 507 . 46 GLU CA C 54.6 . 1 508 . 46 GLU HA H 5.09 . 1 509 . 46 GLU CB C 33.0 . 1 510 . 46 GLU HB2 H 1.89 . 2 511 . 46 GLU HB3 H 1.99 . 2 512 . 46 GLU CG C 34.0 . 1 513 . 46 GLU HG2 H 2.00 . 1 514 . 46 GLU HG3 H 2.00 . 1 515 . 46 GLU C C 175.4 . 1 516 . 47 TYR N N 125.7 . 1 517 . 47 TYR H H 8.68 . 1 518 . 47 TYR CA C 55.7 . 1 519 . 47 TYR HA H 5.41 . 1 520 . 47 TYR CB C 39.8 . 1 521 . 47 TYR HB2 H 2.42 . 2 522 . 47 TYR HB3 H 2.51 . 2 523 . 47 TYR HD1 H 6.54 . 1 524 . 47 TYR HD2 H 6.54 . 1 525 . 47 TYR HE1 H 6.07 . 1 526 . 47 TYR HE2 H 6.07 . 1 527 . 47 TYR CD1 C 131.8 . 1 528 . 47 TYR CE1 C 118.4 . 1 529 . 47 TYR CE2 C 118.383 . 1 530 . 47 TYR CD2 C 131.8 . 1 531 . 47 TYR C C 176.4 . 1 532 . 48 THR N N 121.8 . 1 533 . 48 THR H H 9.39 . 1 534 . 48 THR CA C 59.6 . 1 535 . 48 THR HA H 5.05 . 1 536 . 48 THR CB C 71.0 . 1 537 . 48 THR HB H 4.10 . 1 538 . 48 THR HG2 H 1.29 . 1 539 . 48 THR CG2 C 20.913 . 1 540 . 49 PRO CD C 51.6 . 1 541 . 49 PRO CA C 63.9 . 1 542 . 49 PRO HA H 4.71 . 1 543 . 49 PRO CB C 32.4 . 1 544 . 49 PRO HB2 H 2.52 . 2 545 . 49 PRO HB3 H 2.11 . 2 546 . 49 PRO CG C 27.3 . 1 547 . 49 PRO HG2 H 1.96 . 2 548 . 49 PRO HG3 H 2.17 . 2 549 . 49 PRO HD2 H 3.95 . 1 550 . 49 PRO HD3 H 3.95 . 1 551 . 49 PRO C C 174.4 . 1 552 . 50 GLU N N 125.2 . 1 553 . 50 GLU H H 8.65 . 1 554 . 50 GLU CA C 55.6 . 1 555 . 50 GLU HA H 4.55 . 1 556 . 50 GLU CB C 30.7 . 1 557 . 50 GLU HB2 H 1.96 . 2 558 . 50 GLU HB3 H 1.88 . 2 559 . 50 GLU CG C 36.3 . 1 560 . 50 GLU HG2 H 2.15 . 2 561 . 50 GLU HG3 H 2.26 . 2 562 . 50 GLU C C 175.7 . 1 563 . 51 GLY N N 114.9 . 1 564 . 51 GLY H H 8.81 . 1 565 . 51 GLY CA C 46.8 . 1 566 . 51 GLY HA2 H 3.69 . 2 567 . 51 GLY HA3 H 4.18 . 2 568 . 51 GLY C C 175.3 . 1 569 . 52 LYS N N 127.3 . 1 570 . 52 LYS H H 8.95 . 1 571 . 52 LYS CA C 56.5 . 1 572 . 52 LYS HA H 4.44 . 1 573 . 52 LYS CB C 32.3 . 1 574 . 52 LYS HB2 H 1.76 . 2 575 . 52 LYS HB3 H 1.97 . 2 576 . 52 LYS CG C 25.0 . 1 577 . 52 LYS HG2 H 1.45 . 1 578 . 52 LYS HG3 H 1.45 . 1 579 . 52 LYS CD C 28.9 . 1 580 . 52 LYS HD2 H 1.67 . 1 581 . 52 LYS HD3 H 1.67 . 1 582 . 52 LYS CE C 41.8 . 1 583 . 52 LYS HE2 H 2.93 . 1 584 . 52 LYS HE3 H 2.93 . 1 585 . 52 LYS C C 175.6 . 1 586 . 53 SER N N 112.4 . 1 587 . 53 SER H H 7.93 . 1 588 . 53 SER CA C 56.9 . 1 589 . 53 SER HA H 5.54 . 1 590 . 53 SER CB C 66.1 . 1 591 . 53 SER HB2 H 4.11 . 2 592 . 53 SER HB3 H 3.99 . 2 593 . 53 SER HG H 5.44 . 1 594 . 53 SER C C 174.2 . 1 595 . 54 VAL N N 117.0 . 1 596 . 54 VAL H H 9.56 . 1 597 . 54 VAL CA C 60.6 . 1 598 . 54 VAL HA H 4.94 . 1 599 . 54 VAL CB C 35.3 . 1 600 . 54 VAL HB H 1.99 . 1 601 . 54 VAL CG1 C 21.8 . 1 602 . 54 VAL CG2 C 21.8 . 1 603 . 54 VAL HG1 H 0.92 . 1 604 . 54 VAL HG2 H 0.92 . 1 605 . 54 VAL C C 174.8 . 1 606 . 55 LYS N N 125.6 . 1 607 . 55 LYS H H 9.11 . 1 608 . 55 LYS CA C 56.1 . 1 609 . 55 LYS HA H 4.73 . 1 610 . 55 LYS CB C 32.5 . 1 611 . 55 LYS HB2 H 1.98 . 2 612 . 55 LYS HB3 H 1.87 . 2 613 . 55 LYS CG C 24.7 . 1 614 . 55 LYS HG2 H 1.43 . 2 615 . 55 LYS HG3 H 1.57 . 2 616 . 55 LYS CD C 29.5 . 1 617 . 55 LYS HD2 H 1.55 . 2 618 . 55 LYS HD3 H 1.56 . 2 619 . 55 LYS CE C 41.8 . 1 620 . 55 LYS HE2 H 2.92 . 2 621 . 55 LYS HE3 H 2.94 . 2 622 . 55 LYS C C 175.7 . 1 623 . 56 VAL N N 126.4 . 1 624 . 56 VAL H H 8.85 . 1 625 . 56 VAL CA C 61.0 . 1 626 . 56 VAL HA H 4.37 . 1 627 . 56 VAL CB C 33.6 . 1 628 . 56 VAL HB H 1.59 . 1 629 . 56 VAL HG1 H 0.55 . 2 630 . 56 VAL HG2 H 0.70 . 2 631 . 56 VAL CG1 C 21.0 . 1 632 . 56 VAL CG2 C 21.0 . 1 633 . 56 VAL C C 175.2 . 1 634 . 57 SER N N 123.5 . 1 635 . 57 SER H H 8.68 . 1 636 . 57 SER CA C 56.9 . 1 637 . 57 SER HA H 4.99 . 1 638 . 57 SER CB C 64.0 . 1 639 . 57 SER HB2 H 3.92 . 2 640 . 57 SER HB3 H 3.82 . 2 641 . 57 SER C C 172.7 . 1 642 . 58 ARG N N 125.2 . 1 643 . 58 ARG H H 8.77 . 1 644 . 58 ARG CA C 54.3 . 1 645 . 58 ARG HA H 4.75 . 1 646 . 58 ARG CB C 33.2 . 1 647 . 58 ARG HB2 H 1.76 . 2 648 . 58 ARG HB3 H 1.36 . 2 649 . 58 ARG CG C 28.4 . 1 650 . 58 ARG HG2 H 1.34 . 1 651 . 58 ARG HG3 H 1.34 . 1 652 . 58 ARG CD C 41.6 . 1 653 . 58 ARG HD2 H 2.85 . 1 654 . 58 ARG HD3 H 2.85 . 1 655 . 58 ARG C C 173.4 . 1 656 . 59 TYR N N 124.0 . 1 657 . 59 TYR H H 8.23 . 1 658 . 59 TYR CA C 55.8 . 1 659 . 59 TYR HA H 4.95 . 1 660 . 59 TYR CB C 41.4 . 1 661 . 59 TYR HB2 H 2.00 . 2 662 . 59 TYR HB3 H 2.50 . 2 663 . 59 TYR HD1 H 6.13 . 1 664 . 59 TYR HD2 H 6.13 . 1 665 . 59 TYR HE1 H 6.43 . 1 666 . 59 TYR HE2 H 6.43 . 1 667 . 59 TYR CD1 C 133.3 . 1 668 . 59 TYR CE1 C 117.3 . 1 669 . 59 TYR CE2 C 117.266 . 1 670 . 59 TYR CD2 C 133.3 . 1 671 . 59 TYR C C 174.5 . 1 672 . 60 ASP N N 121.7 . 1 673 . 60 ASP H H 8.00 . 1 674 . 60 ASP CA C 53.0 . 1 675 . 60 ASP HA H 4.93 . 1 676 . 60 ASP CB C 45.6 . 1 677 . 60 ASP HB2 H 2.33 . 2 678 . 60 ASP HB3 H 2.10 . 2 679 . 61 VAL CA C 62.0 . 1 680 . 61 VAL HA H 4.64 . 1 681 . 61 VAL CB C 33.5 . 1 682 . 61 VAL HB H 2.12 . 1 683 . 61 VAL HG1 H 0.68 . 2 684 . 61 VAL HG2 H 1.10 . 2 685 . 61 VAL CG1 C 21.5 . 1 686 . 61 VAL CG2 C 21.9 . 1 687 . 61 VAL C C 176.7 . 1 688 . 62 ILE N N 127.6 . 1 689 . 62 ILE H H 9.19 . 1 690 . 62 ILE CA C 60.9 . 1 691 . 62 ILE HA H 4.03 . 1 692 . 62 ILE CB C 39.4 . 1 693 . 62 ILE HB H 1.66 . 1 694 . 62 ILE HG2 H 0.33 . 1 695 . 62 ILE CG2 C 16.3 . 1 696 . 62 ILE CG1 C 26.5 . 1 697 . 62 ILE HG12 H 1.10 . 1 698 . 62 ILE HG13 H 1.10 . 1 699 . 62 ILE HD1 H 0.18 . 1 700 . 62 ILE CD1 C 12.5 . 1 701 . 62 ILE C C 176.0 . 1 702 . 63 HIS N N 128.6 . 1 703 . 63 HIS H H 9.78 . 1 704 . 63 HIS CA C 56.7 . 1 705 . 63 HIS HA H 4.28 . 1 706 . 63 HIS CB C 28.5 . 1 707 . 63 HIS HB2 H 2.80 . 1 708 . 63 HIS HB3 H 2.80 . 1 709 . 63 HIS CD2 C 119.2 . 1 710 . 63 HIS CE1 C 136.6 . 1 711 . 63 HIS HD2 H 7.07 . 1 712 . 63 HIS HE1 H 8.05 . 1 713 . 63 HIS C C 175.6 . 1 714 . 64 GLY N N 102.774 . 1 715 . 64 GLY H H 8.39 . 1 716 . 64 GLY CA C 45.4 . 1 717 . 64 GLY HA2 H 4.16 . 2 718 . 64 GLY HA3 H 3.91 . 2 719 . 64 GLY C C 173.3 . 1 720 . 65 LYS N N 120.5 . 1 721 . 65 LYS H H 7.78 . 1 722 . 65 LYS CA C 54.2 . 1 723 . 65 LYS HA H 4.72 . 1 724 . 65 LYS CB C 34.6 . 1 725 . 65 LYS HB2 H 1.78 . 1 726 . 65 LYS HB3 H 1.78 . 1 727 . 65 LYS CG C 24.9 . 1 728 . 65 LYS HG2 H 1.23 . 2 729 . 65 LYS HG3 H 1.41 . 2 730 . 65 LYS CD C 28.9 . 1 731 . 65 LYS HD2 H 1.66 . 1 732 . 65 LYS HD3 H 1.66 . 1 733 . 65 LYS CE C 41.8 . 1 734 . 65 LYS HE2 H 2.93 . 1 735 . 65 LYS HE3 H 2.93 . 1 736 . 65 LYS C C 174.5 . 1 737 . 66 GLU N N 122.6 . 1 738 . 66 GLU H H 8.67 . 1 739 . 66 GLU CA C 56.5 . 1 740 . 66 GLU HA H 4.43 . 1 741 . 66 GLU CB C 31.6 . 1 742 . 66 GLU HB2 H 1.99 . 2 743 . 66 GLU HB3 H 1.81 . 2 744 . 66 GLU CG C 37.8 . 1 745 . 66 GLU HG2 H 2.13 . 2 746 . 66 GLU HG3 H 2.34 . 2 747 . 66 GLU C C 178.9 . 1 748 . 67 TYR N N 124.1 . 1 749 . 67 TYR H H 8.74 . 1 750 . 67 TYR CA C 57.6 . 1 751 . 67 TYR HA H 4.50 . 1 752 . 67 TYR CB C 40.8 . 1 753 . 67 TYR HB2 H 2.62 . 2 754 . 67 TYR HB3 H 2.65 . 2 755 . 67 TYR HD1 H 6.98 . 1 756 . 67 TYR HD2 H 6.98 . 1 757 . 67 TYR HE1 H 6.70 . 1 758 . 67 TYR HE2 H 6.70 . 1 759 . 67 TYR CD1 C 133.4 . 1 760 . 67 TYR CE1 C 117.9 . 1 761 . 67 TYR CE2 C 117.915 . 1 762 . 67 TYR CD2 C 133.4 . 1 763 . 67 TYR C C 173.2 . 1 764 . 68 PHE N N 122.3 . 1 765 . 68 PHE H H 8.25 . 1 766 . 68 PHE CA C 55.5 . 1 767 . 68 PHE HA H 5.30 . 1 768 . 68 PHE CB C 42.0 . 1 769 . 68 PHE HB2 H 2.81 . 1 770 . 68 PHE HB3 H 2.81 . 1 771 . 68 PHE HD1 H 6.94 . 1 772 . 68 PHE HD2 H 6.94 . 1 773 . 68 PHE HE1 H 7.12 . 1 774 . 68 PHE HE2 H 7.12 . 1 775 . 68 PHE CD1 C 133.2 . 1 776 . 68 PHE CE1 C 131.1 . 1 777 . 68 PHE CZ C 129.7 . 1 778 . 68 PHE HZ H 7.23 . 1 779 . 68 PHE CE2 C 133.2 . 1 780 . 68 PHE CD2 C 133.2 . 1 781 . 68 PHE C C 174.9 . 1 782 . 69 MET N N 123.7 . 1 783 . 69 MET H H 8.43 . 1 784 . 69 MET CA C 54.5 . 1 785 . 69 MET HA H 4.47 . 1 786 . 69 MET CB C 35.8 . 1 787 . 69 MET HB2 H 1.76 . 1 788 . 69 MET HB3 H 1.76 . 1 789 . 69 MET CG C 31.6 . 1 790 . 69 MET HG2 H 2.32 . 1 791 . 69 MET HG3 H 2.32 . 1 792 . 69 MET C C 173.5 . 1 793 . 70 GLU N N 123.1 . 1 794 . 70 GLU H H 8.44 . 1 795 . 70 GLU CA C 54.3 . 1 796 . 70 GLU HA H 5.41 . 1 797 . 70 GLU CB C 33.1 . 1 798 . 70 GLU HB2 H 1.97 . 2 799 . 70 GLU HB3 H 2.03 . 2 800 . 70 GLU CG C 36.5 . 1 801 . 70 GLU HG2 H 2.17 . 1 802 . 70 GLU HG3 H 2.17 . 1 803 . 70 GLU C C 176.0 . 1 804 . 71 GLY N N 110.5 . 1 805 . 71 GLY H H 8.67 . 1 806 . 71 GLY CA C 45.2 . 1 807 . 71 GLY HA2 H 4.11 . 2 808 . 71 GLY HA3 H 4.64 . 2 809 . 71 GLY C C 172.8 . 1 810 . 72 THR N N 116.4 . 1 811 . 72 THR H H 8.94 . 1 812 . 72 THR CA C 61.2 . 1 813 . 72 THR HA H 5.44 . 1 814 . 72 THR CB C 72.3 . 1 815 . 72 THR HB H 4.08 . 1 816 . 72 THR HG2 H 1.32 . 1 817 . 72 THR C C 175.0 . 1 818 . 73 ALA N N 126.0 . 1 819 . 73 ALA H H 9.58 . 1 820 . 73 ALA CA C 50.5 . 1 821 . 73 ALA HA H 6.04 . 1 822 . 73 ALA HB H 1.37 . 1 823 . 73 ALA CB C 22.1 . 1 824 . 73 ALA C C 176.5 . 1 825 . 74 TYR N N 116.4 . 1 826 . 74 TYR H H 8.41 . 1 827 . 74 TYR CA C 55.2 . 1 828 . 74 TYR HA H 5.21 . 1 829 . 74 TYR CB C 36.7 . 1 830 . 74 TYR HB2 H 2.93 . 2 831 . 74 TYR HB3 H 3.39 . 2 832 . 74 TYR HD1 H 6.97 . 1 833 . 74 TYR HD2 H 6.97 . 1 834 . 74 TYR HE1 H 6.65 . 1 835 . 74 TYR HE2 H 6.65 . 1 836 . 74 TYR CD1 C 134.3 . 1 837 . 74 TYR CE1 C 117.7 . 1 838 . 74 TYR CE2 C 117.74 . 1 839 . 74 TYR CD2 C 134.3 . 1 840 . 75 PRO CD C 50.4 . 1 841 . 75 PRO CA C 63.2 . 1 842 . 75 PRO HA H 4.31 . 1 843 . 75 PRO CB C 31.9 . 1 844 . 75 PRO HB2 H 2.17 . 2 845 . 75 PRO HB3 H 1.71 . 2 846 . 75 PRO CG C 27.3 . 1 847 . 75 PRO HG2 H 1.91 . 1 848 . 75 PRO HG3 H 1.91 . 1 849 . 75 PRO HD2 H 3.35 . 2 850 . 75 PRO HD3 H 3.63 . 2 851 . 75 PRO C C 176.2 . 1 852 . 76 VAL N N 121.3 . 1 853 . 76 VAL H H 7.81 . 1 854 . 76 VAL CA C 64.6 . 1 855 . 76 VAL HA H 3.62 . 1 856 . 76 VAL CB C 31.8 . 1 857 . 76 VAL HB H 1.35 . 1 858 . 76 VAL HG1 H 0.65 . 2 859 . 76 VAL HG2 H -0.15 . 2 860 . 76 VAL CG1 C 20.7 . 1 861 . 76 VAL CG2 C 21.4 . 1 862 . 76 VAL C C 177.1 . 1 863 . 77 GLY N N 108.8 . 1 864 . 77 GLY H H 8.39 . 1 865 . 77 GLY CA C 44.9 . 1 866 . 77 GLY HA2 H 3.48 . 2 867 . 77 GLY HA3 H 4.19 . 2 868 . 77 GLY C C 172.8 . 1 869 . 78 ASP N N 129.5 . 1 870 . 78 ASP H H 8.62 . 1 871 . 78 ASP CA C 55.0 . 1 872 . 78 ASP HA H 4.44 . 1 873 . 78 ASP CB C 42.1 . 1 874 . 78 ASP HB2 H 2.69 . 1 875 . 78 ASP HB3 H 2.69 . 1 876 . 78 ASP C C 175.3 . 1 877 . 79 SER N N 124.2 . 1 878 . 79 SER H H 8.79 . 1 879 . 79 SER CA C 60.9 . 1 880 . 79 SER HA H 4.08 . 1 881 . 79 SER CB C 62.8 . 1 882 . 79 SER HB2 H 3.71 . 2 883 . 79 SER HB3 H 3.98 . 2 884 . 79 SER C C 174.2 . 1 885 . 80 LYS N N 118.5 . 1 886 . 80 LYS H H 8.23 . 1 887 . 80 LYS CA C 56.9 . 1 888 . 80 LYS HA H 5.14 . 1 889 . 80 LYS CB C 32.3 . 1 890 . 80 LYS HB2 H 1.89 . 2 891 . 80 LYS HB3 H 1.74 . 2 892 . 80 LYS CG C 25.0 . 1 893 . 80 LYS HG2 H 1.55 . 1 894 . 80 LYS HG3 H 1.55 . 1 895 . 80 LYS CD C 28.9 . 1 896 . 80 LYS HD2 H 1.73 . 2 897 . 80 LYS HD3 H 1.80 . 2 898 . 80 LYS CE C 41.8 . 1 899 . 80 LYS HE2 H 2.90 . 2 900 . 80 LYS HE3 H 3.04 . 2 901 . 80 LYS C C 177.5 . 1 902 . 81 ILE N N 117.3 . 1 903 . 81 ILE H H 7.63 . 1 904 . 81 ILE CA C 58.8 . 1 905 . 81 ILE HA H 4.55 . 1 906 . 81 ILE CB C 36.3 . 1 907 . 81 ILE HB H 2.19 . 1 908 . 81 ILE HG2 H 0.88 . 1 909 . 81 ILE CG2 C 17.6 . 1 910 . 81 ILE CG1 C 27.2 . 1 911 . 81 ILE HG12 H 1.55 . 2 912 . 81 ILE HG13 H 1.36 . 2 913 . 81 ILE HD1 H 0.88 . 1 914 . 81 ILE CD1 C 11.2 . 1 915 . 81 ILE C C 179.0 . 1 916 . 82 GLY N N 114.2 . 1 917 . 82 GLY H H 9.14 . 1 918 . 82 GLY CA C 48.0 . 1 919 . 82 GLY HA2 H 3.81 . 2 920 . 82 GLY HA3 H 3.05 . 2 921 . 82 GLY C C 172.5 . 1 922 . 83 LYS N N 126.3 . 1 923 . 83 LYS H H 8.71 . 1 924 . 83 LYS CA C 56.0 . 1 925 . 83 LYS HA H 4.67 . 1 926 . 83 LYS CB C 34.5 . 1 927 . 83 LYS HB2 H 1.35 . 2 928 . 83 LYS HB3 H 1.36 . 2 929 . 83 LYS CG C 25.0 . 1 930 . 83 LYS HG2 H 1.09 . 2 931 . 83 LYS HG3 H 1.15 . 2 932 . 83 LYS CD C 28.9 . 1 933 . 83 LYS HD2 H 1.50 . 2 934 . 83 LYS HD3 H 1.52 . 2 935 . 83 LYS CE C 41.8 . 1 936 . 83 LYS HE2 H 2.80 . 2 937 . 83 LYS HE3 H 2.82 . 2 938 . 83 LYS C C 175.2 . 1 939 . 84 ILE N N 128.2 . 1 940 . 84 ILE H H 8.71 . 1 941 . 84 ILE CA C 60.9 . 1 942 . 84 ILE HA H 4.09 . 1 943 . 84 ILE CB C 42.4 . 1 944 . 84 ILE HB H 0.85 . 1 945 . 84 ILE HG2 H 0.97 . 1 946 . 84 ILE CG2 C 17.0 . 1 947 . 84 ILE CG1 C 27.6 . 1 948 . 84 ILE HG12 H 1.30 . 2 949 . 84 ILE HG13 H 1.20 . 2 950 . 84 ILE HD1 H 0.68 . 1 951 . 84 ILE CD1 C 13.0 . 1 952 . 84 ILE C C 174.2 . 1 953 . 85 TYR N N 125.0 . 1 954 . 85 TYR H H 9.07 . 1 955 . 85 TYR CA C 57.6 . 1 956 . 85 TYR HA H 5.16 . 1 957 . 85 TYR CB C 39.3 . 1 958 . 85 TYR HB2 H 2.09 . 2 959 . 85 TYR HB3 H 2.27 . 2 960 . 85 TYR HD1 H 6.84 . 1 961 . 85 TYR HD2 H 6.84 . 1 962 . 85 TYR HE1 H 6.64 . 1 963 . 85 TYR HE2 H 6.64 . 1 964 . 85 TYR CD1 C 133.3 . 1 965 . 85 TYR CE1 C 117.8 . 1 966 . 85 TYR CE2 C 117.857 . 1 967 . 85 TYR CD2 C 133.3 . 1 968 . 85 TYR C C 175.8 . 1 969 . 86 HIS N N 120.5 . 1 970 . 86 HIS H H 9.24 . 1 971 . 86 HIS CA C 54.9 . 1 972 . 86 HIS HA H 5.32 . 1 973 . 86 HIS CB C 32.5 . 1 974 . 86 HIS HB2 H 2.82 . 2 975 . 86 HIS HB3 H 3.00 . 2 976 . 86 HIS CD2 C 121.4 . 1 977 . 86 HIS CE1 C 135.7 . 1 978 . 86 HIS HD2 H 6.82 . 1 979 . 86 HIS HE1 H 8.31 . 1 980 . 86 HIS C C 174.9 . 1 981 . 87 SER N N 120.8 . 1 982 . 87 SER H H 9.27 . 1 983 . 87 SER CA C 56.4 . 1 984 . 87 SER HA H 5.42 . 1 985 . 87 SER CB C 65.2 . 1 986 . 87 SER HB2 H 3.78 . 2 987 . 87 SER HB3 H 3.50 . 2 988 . 87 SER C C 173.0 . 1 989 . 88 ARG N N 123.1 . 1 990 . 88 ARG H H 8.54 . 1 991 . 88 ARG CA C 54.8 . 1 992 . 88 ARG HA H 4.87 . 1 993 . 88 ARG CB C 33.5 . 1 994 . 88 ARG HB2 H 1.87 . 1 995 . 88 ARG HB3 H 1.87 . 1 996 . 88 ARG CG C 26.7 . 1 997 . 88 ARG HG2 H 1.60 . 1 998 . 88 ARG HG3 H 1.60 . 1 999 . 88 ARG CD C 43.7 . 1 1000 . 88 ARG HD2 H 3.02 . 2 1001 . 88 ARG HD3 H 3.13 . 2 1002 . 88 ARG C C 173.5 . 1 1003 . 89 THR N N 120.5 . 1 1004 . 89 THR H H 8.96 . 1 1005 . 89 THR CA C 61.8 . 1 1006 . 89 THR HA H 4.97 . 1 1007 . 89 THR CB C 69.5 . 1 1008 . 89 THR HB H 3.89 . 1 1009 . 89 THR HG2 H 1.02 . 1 1010 . 89 THR CG2 C 21.2 . 1 1011 . 89 THR C C 174.0 . 1 1012 . 90 VAL N N 126.8 . 1 1013 . 90 VAL H H 8.82 . 1 1014 . 90 VAL CA C 61.4 . 1 1015 . 90 VAL HA H 4.30 . 1 1016 . 90 VAL CB C 34.1 . 1 1017 . 90 VAL HB H 2.00 . 1 1018 . 90 VAL CG1 C 20.4 . 1 1019 . 90 VAL CG2 C 20.4 . 1 1020 . 90 VAL HG1 H 0.91 . 1 1021 . 90 VAL HG2 H 0.91 . 1 1022 . 90 VAL C C 176.8 . 1 1023 . 91 GLY N N 117.9 . 1 1024 . 91 GLY H H 9.21 . 1 1025 . 91 GLY CA C 46.7 . 1 1026 . 91 GLY HA2 H 3.84 . 1 1027 . 91 GLY HA3 H 3.84 . 1 1028 . 91 GLY C C 175.1 . 1 1029 . 92 GLY N N 106.0 . 1 1030 . 92 GLY H H 8.37 . 1 1031 . 92 GLY CA C 44.6 . 1 1032 . 92 GLY HA2 H 3.56 . 2 1033 . 92 GLY HA3 H 3.95 . 2 1034 . 92 GLY C C 172.8 . 1 1035 . 93 TYR N N 120.2 . 1 1036 . 93 TYR H H 7.78 . 1 1037 . 93 TYR CA C 56.9 . 1 1038 . 93 TYR HA H 4.83 . 1 1039 . 93 TYR CB C 40.5 . 1 1040 . 93 TYR HB2 H 2.90 . 2 1041 . 93 TYR HB3 H 3.08 . 2 1042 . 93 TYR HD1 H 7.15 . 1 1043 . 93 TYR HD2 H 7.15 . 1 1044 . 93 TYR HE1 H 6.81 . 1 1045 . 93 TYR HE2 H 6.81 . 1 1046 . 93 TYR CD1 C 133.5 . 1 1047 . 93 TYR CE1 C 118.0 . 1 1048 . 93 TYR CE2 C 118.046 . 1 1049 . 93 TYR CD2 C 133.5 . 1 1050 . 93 TYR C C 174.6 . 1 1051 . 94 THR N N 120.7 . 1 1052 . 94 THR H H 8.70 . 1 1053 . 94 THR CA C 62.4 . 1 1054 . 94 THR HA H 4.74 . 1 1055 . 94 THR CB C 69.5 . 1 1056 . 94 THR HB H 3.89 . 1 1057 . 94 THR HG2 H 1.03 . 1 1058 . 94 THR CG2 C 21.5 . 1 1059 . 94 THR C C 173.6 . 1 1060 . 95 LYS N N 128.0 . 1 1061 . 95 LYS H H 8.94 . 1 1062 . 95 LYS CA C 54.8 . 1 1063 . 95 LYS HA H 4.62 . 1 1064 . 95 LYS CB C 34.6 . 1 1065 . 95 LYS HB2 H 1.84 . 2 1066 . 95 LYS HB3 H 1.71 . 2 1067 . 95 LYS CG C 24.7 . 1 1068 . 95 LYS HG2 H 1.41 . 1 1069 . 95 LYS HG3 H 1.41 . 1 1070 . 95 LYS CD C 28.9 . 1 1071 . 95 LYS HD2 H 1.70 . 1 1072 . 95 LYS HD3 H 1.70 . 1 1073 . 95 LYS CE C 41.8 . 1 1074 . 95 LYS HE2 H 2.92 . 2 1075 . 95 LYS HE3 H 3.05 . 2 1076 . 95 LYS C C 174.8 . 1 1077 . 96 LYS N N 125.9 . 1 1078 . 96 LYS H H 8.81 . 1 1079 . 96 LYS CA C 55.0 . 1 1080 . 96 LYS HA H 5.41 . 1 1081 . 96 LYS CB C 34.7 . 1 1082 . 96 LYS HB2 H 1.64 . 2 1083 . 96 LYS HB3 H 1.55 . 2 1084 . 96 LYS CG C 24.3 . 1 1085 . 96 LYS HG2 H 1.17 . 1 1086 . 96 LYS HG3 H 1.17 . 1 1087 . 96 LYS CD C 28.9 . 1 1088 . 96 LYS HD2 H 1.24 . 2 1089 . 96 LYS HD3 H 1.03 . 2 1090 . 96 LYS CE C 41.0 . 1 1091 . 96 LYS HE2 H 2.41 . 1 1092 . 96 LYS HE3 H 2.41 . 1 1093 . 96 LYS C C 175.7 . 1 1094 . 97 THR N N 118.1 . 1 1095 . 97 THR H H 9.08 . 1 1096 . 97 THR CA C 60.5 . 1 1097 . 97 THR HA H 4.80 . 1 1098 . 97 THR CB C 71.8 . 1 1099 . 97 THR HB H 4.27 . 1 1100 . 97 THR HG2 H 1.26 . 1 1101 . 97 THR CG2 C 21.7 . 1 1102 . 97 THR C C 172.8 . 1 1103 . 98 VAL N N 122.3 . 1 1104 . 98 VAL H H 8.72 . 1 1105 . 98 VAL CA C 61.9 . 1 1106 . 98 VAL HA H 4.70 . 1 1107 . 98 VAL CB C 33.5 . 1 1108 . 98 VAL HB H 1.96 . 1 1109 . 98 VAL HG1 H 0.67 . 2 1110 . 98 VAL HG2 H 0.87 . 2 1111 . 98 VAL CG1 C 21.4 . 1 1112 . 98 VAL CG2 C 22.4 . 1 1113 . 99 PHE N N 128.0 . 1 1114 . 99 PHE H H 9.72 . 1 1115 . 99 PHE CA C 55.5 . 1 1116 . 99 PHE HA H 5.01 . 1 1117 . 99 PHE CB C 41.0 . 1 1118 . 99 PHE HB2 H 2.98 . 1 1119 . 99 PHE HB3 H 2.98 . 1 1120 . 99 PHE HD1 H 6.85 . 1 1121 . 99 PHE HD2 H 6.85 . 1 1122 . 99 PHE HE1 H 6.87 . 1 1123 . 99 PHE HE2 H 6.87 . 1 1124 . 99 PHE CD1 C 132.1 . 1 1125 . 99 PHE CE1 C 131.0 . 1 1126 . 99 PHE CZ C 130.4 . 1 1127 . 99 PHE HZ H 6.96 . 1 1128 . 99 PHE CE2 C 132.1 . 1 1129 . 99 PHE CD2 C 132.1 . 1 1130 . 100 ASN N N 119.1 . 1 1131 . 100 ASN H H 9.25 . 1 1132 . 100 ASN CA C 51.6 . 1 1133 . 100 ASN HA H 5.54 . 1 1134 . 100 ASN CB C 43.3 . 1 1135 . 100 ASN HB2 H 1.92 . 2 1136 . 100 ASN HB3 H 2.68 . 2 1137 . 100 ASN ND2 N 111.0 . 1 1138 . 100 ASN HD21 H 7.11 . 2 1139 . 100 ASN HD22 H 6.61 . 2 1140 . 100 ASN C C 174.4 . 1 1141 . 101 VAL N N 122.9 . 1 1142 . 101 VAL H H 9.31 . 1 1143 . 101 VAL CA C 62.0 . 1 1144 . 101 VAL HA H 4.12 . 1 1145 . 101 VAL CB C 31.1 . 1 1146 . 101 VAL HB H 1.66 . 1 1147 . 101 VAL CG1 C 19.6 . 1 1148 . 101 VAL CG2 C 19.6 . 1 1149 . 101 VAL HG1 H 0.24 . 1 1150 . 101 VAL HG2 H 0.24 . 1 1151 . 101 VAL C C 174.8 . 1 1152 . 102 LEU N N 125.8 . 1 1153 . 102 LEU H H 8.54 . 1 1154 . 102 LEU CA C 55.3 . 1 1155 . 102 LEU HA H 4.12 . 1 1156 . 102 LEU CB C 41.3 . 1 1157 . 102 LEU HB2 H 1.56 . 2 1158 . 102 LEU HB3 H 1.01 . 2 1159 . 102 LEU CG C 26.5 . 1 1160 . 102 LEU HG H 1.40 . 1 1161 . 102 LEU HD1 H 0.44 . 2 1162 . 102 LEU HD2 H 0.60 . 2 1163 . 102 LEU CD1 C 21.0 . 1 1164 . 102 LEU CD2 C 25.0 . 1 1165 . 102 LEU C C 177.4 . 1 1166 . 103 SER N N 107.5 . 1 1167 . 103 SER H H 6.87 . 1 1168 . 103 SER CA C 56.8 . 1 1169 . 103 SER HA H 4.29 . 1 1170 . 103 SER CB C 63.2 . 1 1171 . 103 SER HB2 H 2.82 . 1 1172 . 103 SER HB3 H 2.82 . 1 1173 . 103 SER C C 172.5 . 1 1174 . 104 THR N N 121.0 . 1 1175 . 104 THR H H 8.52 . 1 1176 . 104 THR CA C 61.2 . 1 1177 . 104 THR HA H 3.83 . 1 1178 . 104 THR CB C 68.1 . 1 1179 . 104 THR HB H 4.37 . 1 1180 . 104 THR HG2 H 1.05 . 1 1181 . 104 THR CG2 C 17.6 . 1 1182 . 104 THR C C 169.9 . 1 1183 . 105 ASP N N 123.3 . 1 1184 . 105 ASP H H 6.85 . 1 1185 . 105 ASP CA C 52.6 . 1 1186 . 105 ASP HA H 4.84 . 1 1187 . 105 ASP CB C 40.6 . 1 1188 . 105 ASP HB2 H 2.77 . 2 1189 . 105 ASP HB3 H 3.20 . 2 1190 . 105 ASP C C 176.5 . 1 1191 . 106 ASN N N 114.9 . 1 1192 . 106 ASN H H 9.52 . 1 1193 . 106 ASN CA C 54.9 . 1 1194 . 106 ASN HA H 4.27 . 1 1195 . 106 ASN CB C 38.2 . 1 1196 . 106 ASN HB2 H 2.80 . 2 1197 . 106 ASN HB3 H 3.02 . 2 1198 . 106 ASN ND2 N 113.7 . 1 1199 . 106 ASN HD21 H 7.44 . 2 1200 . 106 ASN HD22 H 6.88 . 2 1201 . 106 ASN C C 174.2 . 1 1202 . 107 LYS N N 113.2 . 1 1203 . 107 LYS H H 7.99 . 1 1204 . 107 LYS CA C 59.1 . 1 1205 . 107 LYS HA H 4.38 . 1 1206 . 107 LYS CB C 36.7 . 1 1207 . 107 LYS HB2 H 1.54 . 2 1208 . 107 LYS HB3 H 1.65 . 2 1209 . 107 LYS CG C 24.3 . 1 1210 . 107 LYS HG2 H 1.30 . 2 1211 . 107 LYS HG3 H 1.33 . 2 1212 . 107 LYS CD C 28.6 . 1 1213 . 107 LYS HD2 H 1.68 . 1 1214 . 107 LYS HD3 H 1.68 . 1 1215 . 107 LYS CE C 41.8 . 1 1216 . 107 LYS HE2 H 2.94 . 1 1217 . 107 LYS HE3 H 2.94 . 1 1218 . 107 LYS C C 174.7 . 1 1219 . 108 ASN N N 118.2 . 1 1220 . 108 ASN H H 10.99 . 1 1221 . 108 ASN CA C 55.3 . 1 1222 . 108 ASN HA H 5.09 . 1 1223 . 108 ASN CB C 42.5 . 1 1224 . 108 ASN HB2 H 3.52 . 2 1225 . 108 ASN HB3 H 3.08 . 2 1226 . 108 ASN ND2 N 117.8 . 1 1227 . 108 ASN HD21 H 8.45 . 2 1228 . 108 ASN HD22 H 7.29 . 2 1229 . 108 ASN C C 175.3 . 1 1230 . 109 TYR N N 116.9 . 1 1231 . 109 TYR H H 8.54 . 1 1232 . 109 TYR CA C 57.3 . 1 1233 . 109 TYR HA H 6.50 . 1 1234 . 109 TYR CB C 42.3 . 1 1235 . 109 TYR HB2 H 3.20 . 2 1236 . 109 TYR HB3 H 2.85 . 2 1237 . 109 TYR HD1 H 6.87 . 1 1238 . 109 TYR HD2 H 6.87 . 1 1239 . 109 TYR HE1 H 6.67 . 1 1240 . 109 TYR HE2 H 6.67 . 1 1241 . 109 TYR CD1 C 133.2 . 1 1242 . 109 TYR CE1 C 117.7 . 1 1243 . 109 TYR CE2 C 117.748 . 1 1244 . 109 TYR CD2 C 133.2 . 1 1245 . 109 TYR C C 173.0 . 1 1246 . 110 ILE N N 122.2 . 1 1247 . 110 ILE H H 9.13 . 1 1248 . 110 ILE CA C 62.1 . 1 1249 . 110 ILE HA H 4.04 . 1 1250 . 110 ILE CB C 44.8 . 1 1251 . 110 ILE HB H 1.29 . 1 1252 . 110 ILE HG2 H 0.70 . 1 1253 . 110 ILE CG2 C 17.6 . 1 1254 . 110 ILE CG1 C 28.6 . 1 1255 . 110 ILE HG12 H 0.59 . 2 1256 . 110 ILE HG13 H 1.25 . 2 1257 . 110 ILE HD1 H -0.17 . 1 1258 . 110 ILE CD1 C 12.7 . 1 1259 . 110 ILE C C 176.1 . 1 1260 . 111 ILE N N 125.4 . 1 1261 . 111 ILE H H 8.65 . 1 1262 . 111 ILE CA C 61.0 . 1 1263 . 111 ILE HA H 5.04 . 1 1264 . 111 ILE CB C 38.7 . 1 1265 . 111 ILE HB H 1.54 . 1 1266 . 111 ILE HG2 H 0.70 . 1 1267 . 111 ILE CG2 C 16.1 . 1 1268 . 111 ILE CG1 C 28.7 . 1 1269 . 111 ILE HG12 H 0.77 . 2 1270 . 111 ILE HG13 H 1.23 . 2 1271 . 111 ILE HD1 H 0.96 . 1 1272 . 111 ILE CD1 C 14.2 . 1 1273 . 113 TYR CA C 56.7 . 1 1274 . 113 TYR HA H 5.55 . 1 1275 . 113 TYR CB C 44.1 . 1 1276 . 113 TYR HB2 H 2.26 . 2 1277 . 113 TYR HB3 H 2.89 . 2 1278 . 113 TYR HD1 H 6.76 . 1 1279 . 113 TYR HD2 H 6.76 . 1 1280 . 113 TYR HE1 H 6.59 . 1 1281 . 113 TYR HE2 H 6.59 . 1 1282 . 113 TYR CD1 C 132.4 . 1 1283 . 113 TYR CE1 C 117.1 . 1 1284 . 113 TYR CE2 C 117.114 . 1 1285 . 113 TYR CD2 C 132.4 . 1 1286 . 113 TYR C C 174.5 . 1 1287 . 114 SER N N 124.1 . 1 1288 . 114 SER H H 8.74 . 1 1289 . 114 SER CA C 56.6 . 1 1290 . 114 SER HA H 4.76 . 1 1291 . 114 SER CB C 67.3 . 1 1292 . 114 SER HB2 H 3.80 . 2 1293 . 114 SER HB3 H 3.99 . 2 1294 . 114 SER C C 170.7 . 1 1295 . 115 CYS N N 120.0 . 1 1296 . 115 CYS H H 8.80 . 1 1297 . 115 CYS CA C 56.2 . 1 1298 . 115 CYS HA H 5.25 . 1 1299 . 115 CYS CB C 45.0 . 1 1300 . 115 CYS HB2 H 2.92 . 2 1301 . 115 CYS HB3 H 3.51 . 2 1302 . 115 CYS C C 172.9 . 1 1303 . 116 ARG N N 129.8 . 1 1304 . 116 ARG H H 9.17 . 1 1305 . 116 ARG CA C 54.4 . 1 1306 . 116 ARG HA H 5.05 . 1 1307 . 116 ARG CB C 33.1 . 1 1308 . 116 ARG HB2 H 2.11 . 2 1309 . 116 ARG HB3 H 1.98 . 2 1310 . 116 ARG CG C 27.4 . 1 1311 . 116 ARG HG2 H 1.79 . 1 1312 . 116 ARG HG3 H 1.79 . 1 1313 . 116 ARG CD C 43.3 . 1 1314 . 116 ARG HD2 H 3.15 . 2 1315 . 116 ARG HD3 H 3.32 . 2 1316 . 116 ARG C C 174.4 . 1 1317 . 117 TYR N N 127.1 . 1 1318 . 117 TYR H H 9.32 . 1 1319 . 117 TYR CA C 58.4 . 1 1320 . 117 TYR HA H 4.85 . 1 1321 . 117 TYR CB C 40.0 . 1 1322 . 117 TYR HB2 H 3.20 . 2 1323 . 117 TYR HB3 H 3.07 . 2 1324 . 117 TYR HD1 H 7.13 . 1 1325 . 117 TYR HD2 H 7.13 . 1 1326 . 117 TYR HE1 H 6.64 . 1 1327 . 117 TYR HE2 H 6.64 . 1 1328 . 117 TYR CD1 C 133.4 . 1 1329 . 117 TYR CE1 C 117.8 . 1 1330 . 117 TYR CE2 C 117.832 . 1 1331 . 117 TYR CD2 C 133.4 . 1 1332 . 117 TYR C C 174.3 . 1 1333 . 118 ASP N N 129.1 . 1 1334 . 118 ASP H H 8.93 . 1 1335 . 118 ASP CA C 52.6 . 1 1336 . 118 ASP HA H 4.84 . 1 1337 . 118 ASP CB C 42.8 . 1 1338 . 118 ASP HB2 H 2.97 . 2 1339 . 118 ASP HB3 H 2.54 . 2 1340 . 118 ASP C C 175.4 . 1 1341 . 119 GLU N N 124.1 . 1 1342 . 119 GLU H H 8.88 . 1 1343 . 119 GLU CA C 58.6 . 1 1344 . 119 GLU HA H 3.94 . 1 1345 . 119 GLU CB C 29.7 . 1 1346 . 119 GLU HB2 H 2.15 . 1 1347 . 119 GLU HB3 H 2.15 . 1 1348 . 119 GLU CG C 35.7 . 1 1349 . 119 GLU HG2 H 2.46 . 1 1350 . 119 GLU HG3 H 2.46 . 1 1351 . 119 GLU C C 177.5 . 1 1352 . 120 ASP N N 117.7 . 1 1353 . 120 ASP H H 8.28 . 1 1354 . 120 ASP CA C 56.4 . 1 1355 . 120 ASP HA H 4.52 . 1 1356 . 120 ASP CB C 41.0 . 1 1357 . 120 ASP HB2 H 2.80 . 2 1358 . 120 ASP HB3 H 2.71 . 2 1359 . 120 ASP C C 177.4 . 1 1360 . 121 LYS N N 116.9 . 1 1361 . 121 LYS H H 7.66 . 1 1362 . 121 LYS CA C 56.3 . 1 1363 . 121 LYS HA H 4.08 . 1 1364 . 121 LYS CB C 32.7 . 1 1365 . 121 LYS HB2 H 2.03 . 2 1366 . 121 LYS HB3 H 1.44 . 2 1367 . 121 LYS CG C 24.7 . 1 1368 . 121 LYS HG2 H 1.30 . 1 1369 . 121 LYS HG3 H 1.30 . 1 1370 . 121 LYS CD C 28.9 . 1 1371 . 121 LYS HD2 H 1.70 . 2 1372 . 121 LYS HD3 H 1.80 . 2 1373 . 121 LYS CE C 41.8 . 1 1374 . 121 LYS HE2 H 2.90 . 2 1375 . 121 LYS HE3 H 2.97 . 2 1376 . 121 LYS C C 176.2 . 1 1377 . 122 LYS N N 116.0 . 1 1378 . 122 LYS H H 8.16 . 1 1379 . 122 LYS CA C 56.6 . 1 1380 . 122 LYS HA H 4.04 . 1 1381 . 122 LYS CB C 29.3 . 1 1382 . 122 LYS HB2 H 2.21 . 2 1383 . 122 LYS HB3 H 1.88 . 2 1384 . 122 LYS CG C 24.7 . 1 1385 . 122 LYS HG2 H 1.40 . 1 1386 . 122 LYS HG3 H 1.40 . 1 1387 . 122 LYS CD C 28.9 . 1 1388 . 122 LYS HD2 H 1.70 . 1 1389 . 122 LYS HD3 H 1.70 . 1 1390 . 122 LYS CE C 42.0 . 1 1391 . 122 LYS HE2 H 2.93 . 2 1392 . 122 LYS HE3 H 3.07 . 2 1393 . 122 LYS C C 176.2 . 1 1394 . 123 GLY N N 106.8 . 1 1395 . 123 GLY H H 7.30 . 1 1396 . 123 GLY CA C 44.8 . 1 1397 . 123 GLY HA2 H 4.10 . 2 1398 . 123 GLY HA3 H 5.19 . 2 1399 . 123 GLY C C 171.4 . 1 1400 . 124 HIS N N 112.3 . 1 1401 . 124 HIS H H 8.78 . 1 1402 . 124 HIS CA C 53.7 . 1 1403 . 124 HIS HA H 5.75 . 1 1404 . 124 HIS CB C 33.6 . 1 1405 . 124 HIS HB2 H 3.38 . 2 1406 . 124 HIS HB3 H 2.98 . 2 1407 . 124 HIS CD2 C 121.0 . 1 1408 . 124 HIS CE1 C 137.7 . 1 1409 . 124 HIS HD2 H 7.12 . 1 1410 . 124 HIS HE1 H 8.07 . 1 1411 . 124 HIS C C 170.6 . 1 1412 . 125 TRP N N 119.5 . 1 1413 . 125 TRP H H 9.15 . 1 1414 . 125 TRP CA C 54.8 . 1 1415 . 125 TRP HA H 5.34 . 1 1416 . 125 TRP CB C 31.3 . 1 1417 . 125 TRP HB2 H 3.12 . 1 1418 . 125 TRP HB3 H 3.12 . 1 1419 . 125 TRP CD1 C 126.7 . 1 1420 . 125 TRP CE3 C 120.5 . 1 1421 . 125 TRP NE1 N 130.8 . 1 1422 . 125 TRP HD1 H 7.09 . 1 1423 . 125 TRP HE3 H 7.20 . 1 1424 . 125 TRP CZ3 C 122.1 . 1 1425 . 125 TRP CZ2 C 114.8 . 1 1426 . 125 TRP HE1 H 11.13 . 1 1427 . 125 TRP HZ3 H 7.01 . 1 1428 . 125 TRP CH2 C 124.4 . 1 1429 . 125 TRP HZ2 H 7.30 . 1 1430 . 125 TRP HH2 H 7.13 . 1 1431 . 125 TRP C C 176.8 . 1 1432 . 126 ASP N N 124.6 . 1 1433 . 126 ASP H H 9.72 . 1 1434 . 126 ASP CA C 52.4 . 1 1435 . 126 ASP HA H 5.65 . 1 1436 . 126 ASP CB C 44.8 . 1 1437 . 126 ASP HB2 H 3.22 . 2 1438 . 126 ASP HB3 H 2.84 . 2 1439 . 126 ASP C C 175.1 . 1 1440 . 127 HIS N N 119.1 . 1 1441 . 127 HIS H H 8.69 . 1 1442 . 127 HIS CA C 57.1 . 1 1443 . 127 HIS HA H 5.13 . 1 1444 . 127 HIS CB C 34.4 . 1 1445 . 127 HIS HB2 H 3.22 . 2 1446 . 127 HIS HB3 H 2.86 . 2 1447 . 127 HIS CD2 C 120.2 . 1 1448 . 127 HIS CE1 C 136.2 . 1 1449 . 127 HIS HD2 H 6.63 . 1 1450 . 127 HIS HE1 H 8.18 . 1 1451 . 129 TRP CD1 C 126.7 . 1 1452 . 129 TRP CE3 C 119.5 . 1 1453 . 129 TRP NE1 N 127.5 . 1 1454 . 129 TRP HD1 H 6.79 . 1 1455 . 129 TRP HE3 H 6.83 . 1 1456 . 129 TRP CZ3 C 121.0 . 1 1457 . 129 TRP CZ2 C 113.2 . 1 1458 . 129 TRP HE1 H 9.67 . 1 1459 . 129 TRP HZ3 H 6.62 . 1 1460 . 129 TRP CH2 C 123.9 . 1 1461 . 129 TRP HZ2 H 7.08 . 1 1462 . 129 TRP HH2 H 6.63 . 1 1463 . 130 VAL CA C 61.3 . 1 1464 . 130 VAL HA H 4.92 . 1 1465 . 130 VAL CB C 32.9 . 1 1466 . 130 VAL HB H 2.19 . 1 1467 . 130 VAL HG1 H 0.80 . 2 1468 . 130 VAL HG2 H 1.00 . 2 1469 . 130 VAL CG1 C 19.9 . 1 1470 . 130 VAL CG2 C 20.8 . 1 1471 . 130 VAL C C 172.4 . 1 1472 . 131 LEU N N 125.7 . 1 1473 . 131 LEU H H 9.60 . 1 1474 . 131 LEU CA C 52.6 . 1 1475 . 131 LEU HA H 5.98 . 1 1476 . 131 LEU CB C 45.1 . 1 1477 . 131 LEU HB2 H 1.30 . 2 1478 . 131 LEU HB3 H 1.85 . 2 1479 . 131 LEU CG C 27.0 . 1 1480 . 131 LEU HG H 1.82 . 1 1481 . 131 LEU HD1 H 0.74 . 2 1482 . 131 LEU HD2 H 0.98 . 2 1483 . 131 LEU CD1 C 25.8 . 1 1484 . 131 LEU CD2 C 22.0 . 1 1485 . 131 LEU C C 177.3 . 1 1486 . 132 SER N N 114.1 . 1 1487 . 132 SER H H 9.88 . 1 1488 . 132 SER CA C 55.3 . 1 1489 . 132 SER HA H 6.25 . 1 1490 . 132 SER CB C 66.6 . 1 1491 . 132 SER HB2 H 4.26 . 2 1492 . 132 SER HB3 H 3.87 . 2 1493 . 132 SER C C 175.8 . 1 1494 . 133 ARG N N 127.6 . 1 1495 . 133 ARG H H 8.56 . 1 1496 . 133 ARG CA C 57.7 . 1 1497 . 133 ARG HA H 3.98 . 1 1498 . 133 ARG CB C 30.8 . 1 1499 . 133 ARG HB2 H 1.85 . 2 1500 . 133 ARG HB3 H 1.93 . 2 1501 . 133 ARG CG C 27.3 . 1 1502 . 133 ARG HG2 H 1.50 . 2 1503 . 133 ARG HG3 H 1.60 . 2 1504 . 133 ARG CD C 43.4 . 1 1505 . 133 ARG HD2 H 3.00 . 2 1506 . 133 ARG HD3 H 3.10 . 2 1507 . 133 ARG C C 176.4 . 1 1508 . 134 SER N N 111.8 . 1 1509 . 134 SER H H 8.08 . 1 1510 . 134 SER CA C 56.0 . 1 1511 . 134 SER HA H 4.75 . 1 1512 . 134 SER CB C 64.9 . 1 1513 . 134 SER HB2 H 3.78 . 2 1514 . 134 SER HB3 H 3.87 . 2 1515 . 134 SER C C 174.3 . 1 1516 . 135 MET N N 122.2 . 1 1517 . 135 MET H H 8.15 . 1 1518 . 135 MET CA C 58.6 . 1 1519 . 135 MET HA H 5.10 . 1 1520 . 135 MET CB C 33.6 . 1 1521 . 135 MET HB2 H 2.00 . 2 1522 . 135 MET HB3 H 2.10 . 2 1523 . 135 MET CG C 34.0 . 1 1524 . 135 MET HG2 H 2.30 . 2 1525 . 135 MET HG3 H 2.40 . 2 1526 . 135 MET C C 173.6 . 1 1527 . 136 VAL N N 111.4 . 1 1528 . 136 VAL H H 7.02 . 1 1529 . 136 VAL CA C 59.7 . 1 1530 . 136 VAL HA H 4.18 . 1 1531 . 136 VAL CB C 34.2 . 1 1532 . 136 VAL HB H 1.79 . 1 1533 . 136 VAL HG1 H 0.88 . 2 1534 . 136 VAL HG2 H 0.83 . 2 1535 . 136 VAL CG1 C 20.6 . 1 1536 . 136 VAL CG2 C 20.6 . 1 1537 . 136 VAL C C 176.4 . 1 1538 . 137 LEU N N 128.6 . 1 1539 . 137 LEU H H 9.14 . 1 1540 . 137 LEU CA C 55.0 . 1 1541 . 137 LEU HA H 4.40 . 1 1542 . 137 LEU CB C 42.9 . 1 1543 . 137 LEU HB2 H 1.24 . 2 1544 . 137 LEU HB3 H 1.73 . 2 1545 . 137 LEU CG C 26.9 . 1 1546 . 137 LEU HG H 1.74 . 1 1547 . 137 LEU HD1 H 1.01 . 2 1548 . 137 LEU HD2 H 0.98 . 2 1549 . 137 LEU CD1 C 25.7 . 1 1550 . 137 LEU CD2 C 24.1 . 1 1551 . 137 LEU C C 176.1 . 1 1552 . 138 THR N N 115.5 . 1 1553 . 138 THR H H 8.56 . 1 1554 . 138 THR CA C 60.3 . 1 1555 . 138 THR HA H 4.55 . 1 1556 . 138 THR CB C 71.9 . 1 1557 . 138 THR HB H 4.21 . 1 1558 . 138 THR HG2 H 1.15 . 1 1559 . 138 THR CG2 C 20.8 . 1 1560 . 138 THR C C 175.0 . 1 1561 . 139 GLY N N 109.2 . 1 1562 . 139 GLY H H 8.68 . 1 1563 . 139 GLY CA C 46.5 . 1 1564 . 139 GLY HA2 H 3.83 . 2 1565 . 139 GLY HA3 H 4.01 . 2 1566 . 139 GLY C C 175.6 . 1 1567 . 140 GLU N N 124.1 . 1 1568 . 140 GLU H H 8.97 . 1 1569 . 140 GLU CA C 59.1 . 1 1570 . 140 GLU HA H 4.10 . 1 1571 . 140 GLU CB C 29.1 . 1 1572 . 140 GLU HB2 H 2.11 . 1 1573 . 140 GLU HB3 H 2.11 . 1 1574 . 140 GLU CG C 36.4 . 1 1575 . 140 GLU HG2 H 2.40 . 1 1576 . 140 GLU HG3 H 2.40 . 1 1577 . 140 GLU C C 178.8 . 1 1578 . 141 ALA N N 122.8 . 1 1579 . 141 ALA H H 8.28 . 1 1580 . 141 ALA CA C 55.1 . 1 1581 . 141 ALA HA H 4.26 . 1 1582 . 141 ALA HB H 1.63 . 1 1583 . 141 ALA CB C 19.1 . 1 1584 . 141 ALA C C 178.0 . 1 1585 . 142 LYS N N 117.2 . 1 1586 . 142 LYS H H 7.16 . 1 1587 . 142 LYS CA C 59.6 . 1 1588 . 142 LYS HA H 3.61 . 1 1589 . 142 LYS CB C 31.9 . 1 1590 . 142 LYS HB2 H 1.91 . 2 1591 . 142 LYS HB3 H 1.23 . 2 1592 . 142 LYS CG C 24.6 . 1 1593 . 142 LYS HG2 H 1.21 . 2 1594 . 142 LYS HG3 H 1.53 . 2 1595 . 142 LYS CD C 28.9 . 1 1596 . 142 LYS HD2 H 1.71 . 1 1597 . 142 LYS HD3 H 1.71 . 1 1598 . 142 LYS CE C 41.8 . 1 1599 . 142 LYS HE2 H 2.93 . 1 1600 . 142 LYS HE3 H 2.93 . 1 1601 . 142 LYS C C 177.7 . 1 1602 . 143 THR N N 114.1 . 1 1603 . 143 THR H H 7.76 . 1 1604 . 143 THR CA C 65.9 . 1 1605 . 143 THR HA H 3.84 . 1 1606 . 143 THR CB C 68.8 . 1 1607 . 143 THR HB H 4.07 . 1 1608 . 143 THR HG2 H 1.22 . 1 1609 . 143 THR CG2 C 22.0 . 1 1610 . 143 THR C C 175.6 . 1 1611 . 144 ALA N N 123.7 . 1 1612 . 144 ALA H H 8.06 . 1 1613 . 144 ALA CA C 55.2 . 1 1614 . 144 ALA HA H 4.10 . 1 1615 . 144 ALA HB H 1.56 . 1 1616 . 144 ALA CB C 18.0 . 1 1617 . 144 ALA C C 181.1 . 1 1618 . 145 VAL N N 119.6 . 1 1619 . 145 VAL H H 8.02 . 1 1620 . 145 VAL CA C 66.7 . 1 1621 . 145 VAL HA H 3.24 . 1 1622 . 145 VAL CB C 31.6 . 1 1623 . 145 VAL HB H 1.99 . 1 1624 . 145 VAL HG1 H 0.81 . 2 1625 . 145 VAL HG2 H 0.27 . 2 1626 . 145 VAL CG1 C 21.0 . 1 1627 . 145 VAL CG2 C 23.1 . 1 1628 . 145 VAL C C 177.5 . 1 1629 . 146 GLU N N 118.2 . 1 1630 . 146 GLU H H 8.38 . 1 1631 . 146 GLU CA C 60.0 . 1 1632 . 146 GLU HA H 3.85 . 1 1633 . 146 GLU CB C 28.9 . 1 1634 . 146 GLU HB2 H 1.95 . 2 1635 . 146 GLU HB3 H 2.08 . 2 1636 . 146 GLU CG C 36.5 . 1 1637 . 146 GLU HG2 H 2.18 . 2 1638 . 146 GLU HG3 H 2.44 . 2 1639 . 146 GLU C C 179.0 . 1 1640 . 147 ASN N N 116.0 . 1 1641 . 147 ASN H H 8.55 . 1 1642 . 147 ASN CA C 55.4 . 1 1643 . 147 ASN HA H 4.42 . 1 1644 . 147 ASN CB C 37.8 . 1 1645 . 147 ASN HB2 H 2.92 . 2 1646 . 147 ASN HB3 H 2.72 . 2 1647 . 147 ASN ND2 N 111.5 . 1 1648 . 147 ASN HD21 H 7.54 . 2 1649 . 147 ASN HD22 H 6.90 . 2 1650 . 147 ASN C C 178.1 . 1 1651 . 148 TYR N N 120.5 . 1 1652 . 148 TYR H H 8.03 . 1 1653 . 148 TYR CA C 62.0 . 1 1654 . 148 TYR HA H 3.99 . 1 1655 . 148 TYR CB C 37.7 . 1 1656 . 148 TYR HB2 H 2.95 . 2 1657 . 148 TYR HB3 H 3.25 . 2 1658 . 148 TYR HD1 H 7.01 . 1 1659 . 148 TYR HD2 H 7.01 . 1 1660 . 148 TYR HE1 H 6.65 . 1 1661 . 148 TYR HE2 H 6.65 . 1 1662 . 148 TYR CD1 C 133.2 . 1 1663 . 148 TYR CE1 C 118.1 . 1 1664 . 148 TYR CE2 C 118.131 . 1 1665 . 148 TYR CD2 C 133.2 . 1 1666 . 148 TYR C C 178.0 . 1 1667 . 149 LEU N N 117.3 . 1 1668 . 149 LEU H H 8.41 . 1 1669 . 149 LEU CA C 57.8 . 1 1670 . 149 LEU HA H 3.66 . 1 1671 . 149 LEU CB C 41.7 . 1 1672 . 149 LEU HB2 H 2.03 . 2 1673 . 149 LEU HB3 H 1.32 . 2 1674 . 149 LEU CG C 26.1 . 1 1675 . 149 LEU HG H 2.17 . 1 1676 . 149 LEU HD1 H 0.82 . 2 1677 . 149 LEU HD2 H 0.85 . 2 1678 . 149 LEU CD1 C 26.4 . 1 1679 . 149 LEU CD2 C 22.9 . 1 1680 . 149 LEU C C 179.4 . 1 1681 . 150 ILE N N 116.5 . 1 1682 . 150 ILE H H 7.89 . 1 1683 . 150 ILE CA C 63.7 . 1 1684 . 150 ILE HA H 3.88 . 1 1685 . 150 ILE CB C 37.8 . 1 1686 . 150 ILE HB H 1.85 . 1 1687 . 150 ILE HG2 H 0.90 . 1 1688 . 150 ILE CG2 C 17.0 . 1 1689 . 150 ILE CG1 C 28.6 . 1 1690 . 150 ILE HG12 H 1.60 . 2 1691 . 150 ILE HG13 H 1.25 . 2 1692 . 150 ILE HD1 H 0.85 . 1 1693 . 150 ILE CD1 C 13.3 . 1 1694 . 150 ILE C C 177.4 . 1 1695 . 151 GLY N N 105.5 . 1 1696 . 151 GLY H H 7.07 . 1 1697 . 151 GLY CA C 44.4 . 1 1698 . 151 GLY HA2 H 3.63 . 2 1699 . 151 GLY HA3 H 4.20 . 2 1700 . 151 GLY C C 174.6 . 1 1701 . 152 SER N N 114.6 . 1 1702 . 152 SER H H 7.00 . 1 1703 . 152 SER CA C 55.6 . 1 1704 . 152 SER HA H 4.39 . 1 1705 . 152 SER CB C 64.6 . 1 1706 . 152 SER HB2 H 3.48 . 2 1707 . 152 SER HB3 H 3.74 . 2 1708 . 153 PRO CD C 50.8 . 1 1709 . 153 PRO CA C 63.0 . 1 1710 . 153 PRO HA H 4.64 . 1 1711 . 153 PRO CB C 31.9 . 1 1712 . 153 PRO HB2 H 1.98 . 2 1713 . 153 PRO HB3 H 2.26 . 2 1714 . 153 PRO CG C 26.7 . 1 1715 . 153 PRO HG2 H 1.88 . 2 1716 . 153 PRO HG3 H 2.08 . 2 1717 . 153 PRO HD2 H 3.76 . 2 1718 . 153 PRO HD3 H 4.03 . 2 1719 . 153 PRO C C 176.5 . 1 1720 . 154 VAL N N 113.7 . 1 1721 . 154 VAL H H 7.31 . 1 1722 . 154 VAL CA C 62.2 . 1 1723 . 154 VAL HA H 4.05 . 1 1724 . 154 VAL CB C 33.5 . 1 1725 . 154 VAL HB H 1.60 . 1 1726 . 154 VAL HG1 H 0.46 . 2 1727 . 154 VAL HG2 H 0.35 . 2 1728 . 154 VAL CG1 C 20.5 . 1 1729 . 154 VAL CG2 C 20.8 . 1 1730 . 154 VAL C C 174.7 . 1 1731 . 155 VAL N N 119.1 . 1 1732 . 155 VAL H H 7.25 . 1 1733 . 155 VAL CA C 62.2 . 1 1734 . 155 VAL HA H 3.81 . 1 1735 . 155 VAL CB C 33.1 . 1 1736 . 155 VAL HB H 1.99 . 1 1737 . 155 VAL CG1 C 21.7 . 1 1738 . 155 VAL HG1 H 0.84 . 1 1739 . 155 VAL HG2 H 0.84 . 1 1740 . 155 VAL C C 174.2 . 1 1741 . 156 ASP N N 126.4 . 1 1742 . 156 ASP H H 8.50 . 1 1743 . 156 ASP CA C 51.8 . 1 1744 . 156 ASP HA H 4.89 . 1 1745 . 156 ASP CB C 40.3 . 1 1746 . 156 ASP HB2 H 2.54 . 2 1747 . 156 ASP HB3 H 2.90 . 2 1748 . 156 ASP C C 177.2 . 1 1749 . 157 SER N N 120.7 . 1 1750 . 157 SER H H 8.89 . 1 1751 . 157 SER CA C 61.8 . 1 1752 . 157 SER HA H 4.95 . 1 1753 . 157 SER CB C 62.1 . 1 1754 . 157 SER HB2 H 4.04 . 2 1755 . 157 SER HB3 H 3.88 . 2 1756 . 157 SER C C 176.5 . 1 1757 . 158 GLN N N 119.2 . 1 1758 . 158 GLN H H 8.43 . 1 1759 . 158 GLN CA C 57.4 . 1 1760 . 158 GLN HA H 4.26 . 1 1761 . 158 GLN CB C 28.0 . 1 1762 . 158 GLN HB2 H 2.19 . 1 1763 . 158 GLN HB3 H 2.19 . 1 1764 . 158 GLN CG C 34.1 . 1 1765 . 158 GLN HG2 H 2.49 . 2 1766 . 158 GLN HG3 H 2.40 . 2 1767 . 158 GLN NE2 N 112.4 . 1 1768 . 158 GLN HE21 H 7.68 . 2 1769 . 158 GLN HE22 H 6.86 . 2 1770 . 158 GLN C C 177.0 . 1 1771 . 159 LYS N N 116.1 . 1 1772 . 159 LYS H H 7.60 . 1 1773 . 159 LYS CA C 55.1 . 1 1774 . 159 LYS HA H 4.26 . 1 1775 . 159 LYS CB C 33.5 . 1 1776 . 159 LYS HB2 H 1.66 . 2 1777 . 159 LYS HB3 H 1.50 . 2 1778 . 159 LYS CG C 25.3 . 1 1779 . 159 LYS HG2 H 1.16 . 2 1780 . 159 LYS HG3 H 1.29 . 2 1781 . 159 LYS CD C 28.6 . 1 1782 . 159 LYS HD2 H 1.47 . 1 1783 . 159 LYS HD3 H 1.47 . 1 1784 . 159 LYS CE C 41.8 . 1 1785 . 159 LYS HE2 H 2.85 . 1 1786 . 159 LYS HE3 H 2.85 . 1 1787 . 159 LYS C C 176.6 . 1 1788 . 160 LEU N N 116.5 . 1 1789 . 160 LEU H H 6.92 . 1 1790 . 160 LEU CA C 56.1 . 1 1791 . 160 LEU HA H 4.07 . 1 1792 . 160 LEU CB C 42.9 . 1 1793 . 160 LEU HB2 H 0.78 . 2 1794 . 160 LEU HB3 H 1.87 . 2 1795 . 160 LEU CG C 26.8 . 1 1796 . 160 LEU HG H 1.66 . 1 1797 . 160 LEU HD1 H 0.45 . 2 1798 . 160 LEU HD2 H 0.82 . 2 1799 . 160 LEU CD1 C 23.1 . 1 1800 . 160 LEU CD2 C 26.6 . 1 1801 . 160 LEU C C 176.1 . 1 1802 . 161 VAL N N 120.5 . 1 1803 . 161 VAL H H 9.01 . 1 1804 . 161 VAL CA C 60.6 . 1 1805 . 161 VAL HA H 4.43 . 1 1806 . 161 VAL CB C 33.5 . 1 1807 . 161 VAL HB H 2.03 . 1 1808 . 161 VAL HG1 H 0.99 . 2 1809 . 161 VAL HG2 H 0.88 . 2 1810 . 161 VAL CG1 C 21.2 . 1 1811 . 161 VAL CG2 C 20.2 . 1 1812 . 161 VAL C C 176.6 . 1 1813 . 162 TYR N N 128.2 . 1 1814 . 162 TYR H H 9.22 . 1 1815 . 162 TYR CA C 58.0 . 1 1816 . 162 TYR HA H 5.15 . 1 1817 . 162 TYR CB C 39.2 . 1 1818 . 162 TYR HB2 H 2.93 . 2 1819 . 162 TYR HB3 H 3.08 . 2 1820 . 162 TYR HD1 H 7.25 . 1 1821 . 162 TYR HD2 H 7.25 . 1 1822 . 162 TYR HE1 H 6.65 . 1 1823 . 162 TYR HE2 H 6.65 . 1 1824 . 162 TYR CD1 C 133.4 . 1 1825 . 162 TYR CE1 C 117.6 . 1 1826 . 162 TYR CE2 C 117.623 . 1 1827 . 162 TYR CD2 C 133.4 . 1 1828 . 162 TYR C C 176.7 . 1 1829 . 163 SER N N 119.4 . 1 1830 . 163 SER H H 8.66 . 1 1831 . 163 SER CA C 58.1 . 1 1832 . 163 SER HA H 4.49 . 1 1833 . 163 SER CB C 64.6 . 1 1834 . 163 SER HB2 H 3.06 . 2 1835 . 163 SER HB3 H 3.68 . 2 1836 . 163 SER C C 172.7 . 1 1837 . 164 ASP N N 120.4 . 1 1838 . 164 ASP H H 8.21 . 1 1839 . 164 ASP CA C 52.8 . 1 1840 . 164 ASP HA H 4.83 . 1 1841 . 164 ASP CB C 41.3 . 1 1842 . 164 ASP HB2 H 2.93 . 2 1843 . 164 ASP HB3 H 3.18 . 2 1844 . 164 ASP C C 176.4 . 1 1845 . 165 PHE N N 115.9 . 1 1846 . 165 PHE H H 8.24 . 1 1847 . 165 PHE CA C 60.2 . 1 1848 . 165 PHE HA H 4.22 . 1 1849 . 165 PHE CB C 36.3 . 1 1850 . 165 PHE HB2 H 3.11 . 2 1851 . 165 PHE HB3 H 3.30 . 2 1852 . 165 PHE HD1 H 7.27 . 1 1853 . 165 PHE HD2 H 7.27 . 1 1854 . 165 PHE HE1 H 7.92 . 1 1855 . 165 PHE HE2 H 7.92 . 1 1856 . 165 PHE CD1 C 132.1 . 1 1857 . 165 PHE CE1 C 132.5 . 1 1858 . 165 PHE CZ C 132.5 . 1 1859 . 165 PHE HZ H 7.83 . 1 1860 . 165 PHE CE2 C 132.1 . 1 1861 . 165 PHE CD2 C 132.1 . 1 1862 . 165 PHE C C 174.9 . 1 1863 . 166 SER N N 113.4 . 1 1864 . 166 SER H H 7.73 . 1 1865 . 166 SER CA C 58.0 . 1 1866 . 166 SER HA H 4.29 . 1 1867 . 166 SER CB C 64.8 . 1 1868 . 166 SER HB2 H 4.00 . 1 1869 . 166 SER HB3 H 4.00 . 1 1870 . 166 SER C C 174.3 . 1 1871 . 167 GLU N N 120.5 . 1 1872 . 167 GLU H H 8.72 . 1 1873 . 167 GLU CA C 59.3 . 1 1874 . 167 GLU HA H 3.92 . 1 1875 . 167 GLU CB C 29.4 . 1 1876 . 167 GLU HB2 H 2.01 . 2 1877 . 167 GLU HB3 H 2.07 . 2 1878 . 167 GLU CG C 34.0 . 1 1879 . 167 GLU HG2 H 2.22 . 2 1880 . 167 GLU HG3 H 2.33 . 2 1881 . 167 GLU C C 179.0 . 1 1882 . 168 ALA N N 118.7 . 1 1883 . 168 ALA H H 8.29 . 1 1884 . 168 ALA CA C 54.7 . 1 1885 . 168 ALA HA H 4.06 . 1 1886 . 168 ALA HB H 1.41 . 1 1887 . 168 ALA CB C 18.3 . 1 1888 . 168 ALA C C 179.9 . 1 1889 . 169 ALA N N 119.7 . 1 1890 . 169 ALA H H 7.85 . 1 1891 . 169 ALA CA C 54.3 . 1 1892 . 169 ALA HA H 4.14 . 1 1893 . 169 ALA HB H 1.53 . 1 1894 . 169 ALA CB C 19.7 . 1 1895 . 169 ALA C C 179.6 . 1 1896 . 170 CYS N N 112.2 . 1 1897 . 170 CYS H H 7.95 . 1 1898 . 170 CYS CA C 54.1 . 1 1899 . 170 CYS HA H 4.77 . 1 1900 . 170 CYS CB C 43.3 . 1 1901 . 170 CYS HB2 H 3.38 . 2 1902 . 170 CYS HB3 H 2.87 . 2 1903 . 170 CYS C C 173.9 . 1 1904 . 171 LYS N N 121.8 . 1 1905 . 171 LYS H H 7.45 . 1 1906 . 171 LYS CA C 57.5 . 1 1907 . 171 LYS HA H 4.08 . 1 1908 . 171 LYS CB C 32.3 . 1 1909 . 171 LYS HB2 H 1.97 . 2 1910 . 171 LYS HB3 H 1.75 . 2 1911 . 171 LYS CG C 24.7 . 1 1912 . 171 LYS HG2 H 1.30 . 1 1913 . 171 LYS HG3 H 1.30 . 1 1914 . 171 LYS CD C 29.2 . 1 1915 . 171 LYS HD2 H 1.64 . 1 1916 . 171 LYS HD3 H 1.64 . 1 1917 . 171 LYS CE C 41.8 . 1 1918 . 171 LYS HE2 H 2.93 . 2 1919 . 171 LYS HE3 H 2.95 . 2 1920 . 171 LYS C C 175.6 . 1 1921 . 172 VAL N N 125.5 . 1 1922 . 172 VAL H H 8.31 . 1 1923 . 172 VAL CA C 61.0 . 1 1924 . 172 VAL HA H 4.08 . 1 1925 . 172 VAL CB C 33.2 . 1 1926 . 172 VAL HB H 1.97 . 1 1927 . 172 VAL HG1 H 0.97 . 1 1928 . 172 VAL HG2 H 0.97 . 1 1929 . 172 VAL CG1 C 21.8 . 1 1930 . 172 VAL CG2 C 21.7 . 1 1931 . 172 VAL C C 176.4 . 1 1932 . 173 ASN N N 125.0 . 1 1933 . 173 ASN H H 9.12 . 1 1934 . 173 ASN CA C 53.2 . 1 1935 . 173 ASN HA H 4.70 . 1 1936 . 173 ASN CB C 38.7 . 1 1937 . 173 ASN HB2 H 2.76 . 2 1938 . 173 ASN HB3 H 2.84 . 2 1939 . 173 ASN ND2 N 111.9 . 1 1940 . 173 ASN HD21 H 7.59 . 2 1941 . 173 ASN HD22 H 6.90 . 2 1942 . 173 ASN C C 175.2 . 1 1943 . 174 ASN N N 119.7 . 1 1944 . 174 ASN H H 8.52 . 1 1945 . 174 ASN CA C 53.1 . 1 1946 . 174 ASN HA H 4.71 . 1 1947 . 174 ASN CB C 38.8 . 1 1948 . 174 ASN HB2 H 2.78 . 1 1949 . 174 ASN HB3 H 2.78 . 1 1950 . 174 ASN ND2 N 112.5 . 1 1951 . 174 ASN HD21 H 7.57 . 2 1952 . 174 ASN HD22 H 6.92 . 2 1953 . 174 ASN C C 175.1 . 1 1954 . 175 SER N N 115.8 . 1 1955 . 175 SER H H 8.32 . 1 1956 . 175 SER CA C 58.7 . 1 1957 . 175 SER HA H 4.38 . 1 1958 . 175 SER CB C 63.5 . 1 1959 . 175 SER HB2 H 3.80 . 1 1960 . 175 SER HB3 H 3.80 . 1 1961 . 175 SER C C 174.4 . 1 1962 . 176 ASN N N 120.1 . 1 1963 . 176 ASN H H 8.46 . 1 1964 . 176 ASN CA C 53.4 . 1 1965 . 176 ASN HA H 4.67 . 1 1966 . 176 ASN CB C 38.5 . 1 1967 . 176 ASN HB2 H 2.74 . 2 1968 . 176 ASN HB3 H 2.65 . 2 1969 . 176 ASN ND2 N 112.4 . 1 1970 . 176 ASN HD21 H 7.47 . 2 1971 . 176 ASN HD22 H 6.88 . 2 1972 . 176 ASN C C 174.9 . 1 1973 . 177 TRP N N 120.8 . 1 1974 . 177 TRP H H 8.01 . 1 1975 . 177 TRP CA C 57.4 . 1 1976 . 177 TRP HA H 4.61 . 1 1977 . 177 TRP CB C 29.6 . 1 1978 . 177 TRP HB2 H 3.21 . 2 1979 . 177 TRP HB3 H 3.26 . 2 1980 . 177 TRP CD1 C 126.5 . 1 1981 . 177 TRP CE3 C 120.9 . 1 1982 . 177 TRP NE1 N 129.1 . 1 1983 . 177 TRP HD1 H 7.24 . 1 1984 . 177 TRP HE3 H 7.54 . 1 1985 . 177 TRP CZ3 C 122.0 . 1 1986 . 177 TRP CZ2 C 114.5 . 1 1987 . 177 TRP HE1 H 10.11 . 1 1988 . 177 TRP HZ3 H 7.06 . 1 1989 . 177 TRP CH2 C 124.5 . 1 1990 . 177 TRP HZ2 H 7.45 . 1 1991 . 177 TRP HH2 H 7.17 . 1 1992 . 177 TRP C C 175.9 . 1 1993 . 178 SER N N 116.9 . 1 1994 . 178 SER H H 7.99 . 1 1995 . 178 SER CA C 57.8 . 1 1996 . 178 SER HA H 4.29 . 1 1997 . 178 SER CB C 63.5 . 1 1998 . 178 SER HB2 H 3.65 . 1 1999 . 178 SER HB3 H 3.65 . 1 2000 . 178 SER C C 173.3 . 1 2001 . 179 HIS N N 120.9 . 1 2002 . 179 HIS H H 8.07 . 1 2003 . 179 HIS CA C 54.0 . 1 2004 . 179 HIS HA H 4.64 . 1 2005 . 179 HIS CB C 29.6 . 1 2006 . 179 HIS HB2 H 3.02 . 2 2007 . 179 HIS HB3 H 2.95 . 2 2008 . 179 HIS CD2 C 120.3 . 1 2009 . 179 HIS CE1 C 137.3 . 1 2010 . 179 HIS HD2 H 7.08 . 1 2011 . 179 HIS HE1 H 8.11 . 1 2012 . 180 PRO CD C 50.4 . 1 2013 . 180 PRO CA C 63.3 . 1 2014 . 180 PRO HA H 4.30 . 1 2015 . 180 PRO CB C 31.8 . 1 2016 . 180 PRO HB2 H 1.72 . 2 2017 . 180 PRO HB3 H 2.16 . 2 2018 . 180 PRO CG C 27.3 . 1 2019 . 180 PRO HG2 H 1.89 . 1 2020 . 180 PRO HG3 H 1.89 . 1 2021 . 180 PRO HD2 H 3.33 . 2 2022 . 180 PRO HD3 H 3.64 . 2 2023 . 180 PRO C C 176.8 . 1 2024 . 181 GLN N N 120.5 . 1 2025 . 181 GLN H H 8.61 . 1 2026 . 181 GLN CA C 55.9 . 1 2027 . 181 GLN HA H 4.21 . 1 2028 . 181 GLN CB C 29.2 . 1 2029 . 181 GLN HB2 H 1.91 . 2 2030 . 181 GLN HB3 H 1.84 . 2 2031 . 181 GLN CG C 33.3 . 1 2032 . 181 GLN HG2 H 2.16 . 1 2033 . 181 GLN HG3 H 2.16 . 1 2034 . 181 GLN NE2 N 112.4 . 1 2035 . 181 GLN HE21 H 7.41 . 2 2036 . 181 GLN HE22 H 6.80 . 2 2037 . 181 GLN C C 175.6 . 1 2038 . 182 PHE N N 120.1 . 1 2039 . 182 PHE H H 8.12 . 1 2040 . 182 PHE CA C 57.3 . 1 2041 . 182 PHE HA H 4.63 . 1 2042 . 182 PHE CB C 39.5 . 1 2043 . 182 PHE HB2 H 2.98 . 2 2044 . 182 PHE HB3 H 3.15 . 2 2045 . 182 PHE HD1 H 7.20 . 1 2046 . 182 PHE HD2 H 7.20 . 1 2047 . 182 PHE HE1 H 7.26 . 1 2048 . 182 PHE HE2 H 7.26 . 1 2049 . 182 PHE CD1 C 131.9 . 1 2050 . 182 PHE CE1 C 131.3 . 1 2051 . 182 PHE CZ C 129.8 . 1 2052 . 182 PHE HZ H 7.22 . 1 2053 . 182 PHE CE2 C 131.9 . 1 2054 . 182 PHE CD2 C 131.9 . 1 2055 . 182 PHE C C 175.4 . 1 2056 . 183 GLU N N 122.4 . 1 2057 . 183 GLU H H 8.26 . 1 2058 . 183 GLU CA C 56.3 . 1 2059 . 183 GLU HA H 4.22 . 1 2060 . 183 GLU CB C 30.5 . 1 2061 . 183 GLU HB2 H 2.00 . 2 2062 . 183 GLU HB3 H 1.85 . 2 2063 . 183 GLU CG C 33.4 . 1 2064 . 183 GLU HG2 H 2.17 . 1 2065 . 183 GLU HG3 H 2.17 . 1 2066 . 183 GLU C C 175.1 . 1 2067 . 184 LYS N N 126.9 . 1 2068 . 184 LYS H H 7.88 . 1 2069 . 184 LYS CA C 57.6 . 1 2070 . 184 LYS HA H 4.08 . 1 2071 . 184 LYS CB C 33.3 . 1 2072 . 184 LYS HB2 H 1.69 . 2 2073 . 184 LYS HB3 H 1.78 . 2 2074 . 184 LYS CG C 24.6 . 1 2075 . 184 LYS HG2 H 1.37 . 1 2076 . 184 LYS HG3 H 1.37 . 1 2077 . 184 LYS CD C 29.0 . 1 2078 . 184 LYS HD2 H 1.64 . 1 2079 . 184 LYS HD3 H 1.64 . 1 2080 . 184 LYS CE C 41.8 . 1 2081 . 184 LYS HE2 H 2.89 . 2 2082 . 184 LYS HE3 H 2.96 . 2 stop_ save_