data_6000 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Resonance Assignments of the Drosophila Argonaute1 PAZ Domain ; _BMRB_accession_number 6000 _BMRB_flat_file_name bmr6000.str _Entry_type original _Submission_date 2003-11-07 _Accession_date 2003-11-10 _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 Yan Kelley S. . 2 Farooq Amjad . . 3 Zeng Lei . . 4 Han Arnold . . 5 Yan Sherry . . 6 Zhou Ming-Ming . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 850 "13C chemical shifts" 515 "15N chemical shifts" 152 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-01-20 original author . stop_ _Original_release_date 2005-01-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and conserved RNA binding of the PAZ domain' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14615802 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yan Kelley S. . 2 Yan Sherry . . 3 Farooq Amjad . . 4 Han Arnold . . 5 Zeng Lei . . 6 Zhou Ming-Ming . . stop_ _Journal_abbreviation Nature _Journal_volume 426 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 468 _Page_last 474 _Year 2003 _Details . loop_ _Keyword 'RNA interference' 'RNA silencing' Argonaute 'PAZ domain' 'NMR resonance assignments' stop_ save_ ################################## # Molecular system description # ################################## save_system_Ago1_PAZ_domain _Saveframe_category molecular_system _Mol_system_name 'Drosophila Argonaute1 PAZ domain' _Abbreviation_common 'Ago1 PAZ domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ago1 PAZ domain' $Ago1_PAZ_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ago1_PAZ_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Drosophila Argonaute1 PAZ domain' _Abbreviation_common 'Ago1 PAZ domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 169 _Mol_residue_sequence ; GTAFYKAQPVIDFMCEVLDI RDINEQRKPLTDSQRVKFTK EIKGLKIEITHCGQMRRKYR VCNVTRRPAQMQSFPLQLEN GQTVECTVAKYFLDKYRMKL RYPHLPCLQVGQEHKHTYLP LEVCNIVAGQRCIKKLTDMQ TSTMIKATARSAPDREREIN NLVKRADFN ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 THR 3 ALA 4 PHE 5 TYR 6 LYS 7 ALA 8 GLN 9 PRO 10 VAL 11 ILE 12 ASP 13 PHE 14 MET 15 CYS 16 GLU 17 VAL 18 LEU 19 ASP 20 ILE 21 ARG 22 ASP 23 ILE 24 ASN 25 GLU 26 GLN 27 ARG 28 LYS 29 PRO 30 LEU 31 THR 32 ASP 33 SER 34 GLN 35 ARG 36 VAL 37 LYS 38 PHE 39 THR 40 LYS 41 GLU 42 ILE 43 LYS 44 GLY 45 LEU 46 LYS 47 ILE 48 GLU 49 ILE 50 THR 51 HIS 52 CYS 53 GLY 54 GLN 55 MET 56 ARG 57 ARG 58 LYS 59 TYR 60 ARG 61 VAL 62 CYS 63 ASN 64 VAL 65 THR 66 ARG 67 ARG 68 PRO 69 ALA 70 GLN 71 MET 72 GLN 73 SER 74 PHE 75 PRO 76 LEU 77 GLN 78 LEU 79 GLU 80 ASN 81 GLY 82 GLN 83 THR 84 VAL 85 GLU 86 CYS 87 THR 88 VAL 89 ALA 90 LYS 91 TYR 92 PHE 93 LEU 94 ASP 95 LYS 96 TYR 97 ARG 98 MET 99 LYS 100 LEU 101 ARG 102 TYR 103 PRO 104 HIS 105 LEU 106 PRO 107 CYS 108 LEU 109 GLN 110 VAL 111 GLY 112 GLN 113 GLU 114 HIS 115 LYS 116 HIS 117 THR 118 TYR 119 LEU 120 PRO 121 LEU 122 GLU 123 VAL 124 CYS 125 ASN 126 ILE 127 VAL 128 ALA 129 GLY 130 GLN 131 ARG 132 CYS 133 ILE 134 LYS 135 LYS 136 LEU 137 THR 138 ASP 139 MET 140 GLN 141 THR 142 SER 143 THR 144 MET 145 ILE 146 LYS 147 ALA 148 THR 149 ALA 150 ARG 151 SER 152 ALA 153 PRO 154 ASP 155 ARG 156 GLU 157 ARG 158 GLU 159 ILE 160 ASN 161 ASN 162 LEU 163 VAL 164 LYS 165 ARG 166 ALA 167 ASP 168 PHE 169 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1R4K "Solution Structure Of The Drosophila Argonaute 1 Paz Domain" 100.00 169 100.00 100.00 5.34e-122 DBJ BAA88078 "argonaute protein [Drosophila melanogaster]" 100.00 950 99.41 99.41 4.27e-113 GB AAF58313 "Argonaute-1, isoform C [Drosophila melanogaster]" 100.00 984 99.41 99.41 5.03e-113 GB AAF58314 "Argonaute-1, isoform A [Drosophila melanogaster]" 100.00 984 99.41 99.41 5.03e-113 GB AAF58315 "Argonaute-1, isoform B [Drosophila melanogaster]" 100.00 950 99.41 99.41 4.27e-113 GB AAK93297 "LD36719p [Drosophila melanogaster]" 68.05 601 100.00 100.00 9.81e-74 GB ABB36449 "LP02696p [Drosophila melanogaster]" 100.00 984 99.41 99.41 5.03e-113 REF NP_001246314 "Argonaute-1, isoform D [Drosophila melanogaster]" 100.00 984 99.41 99.41 5.03e-113 REF NP_523734 "Argonaute-1, isoform B [Drosophila melanogaster]" 100.00 950 99.41 99.41 4.27e-113 REF NP_725341 "Argonaute-1, isoform A [Drosophila melanogaster]" 100.00 984 99.41 99.41 5.03e-113 REF NP_725342 "Argonaute-1, isoform C [Drosophila melanogaster]" 100.00 984 99.41 99.41 5.03e-113 REF XP_001360946 "GA19767 [Drosophila pseudoobscura pseudoobscura]" 100.00 985 98.82 98.82 7.16e-112 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ago1_PAZ_domain 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $Ago1_PAZ_domain 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ago1_PAZ_domain 0.5 mM [U-15N] H20 100 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ago1_PAZ_domain 0.5 mM '[U-15N; U-13C]' D20 100 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Ago1_PAZ_domain 0.5 mM '[U-15N; U-13C]' H20 100 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer . _Model . _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer . _Model . _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label 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 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Ago1 PAZ domain' _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 THR HA H 4.28 0.03 1 2 . 3 ALA H H 8.32 0.03 1 3 . 3 ALA HA H 4.32 0.03 1 4 . 3 ALA HB H 1.21 0.03 1 5 . 3 ALA CA C 52.01 0.30 1 6 . 3 ALA CB C 19.93 0.30 1 7 . 3 ALA N N 126.98 0.30 1 8 . 4 PHE H H 8.17 0.03 1 9 . 4 PHE HA H 5.06 0.03 1 10 . 4 PHE HB2 H 2.70 0.03 1 11 . 4 PHE HB3 H 3.01 0.03 1 12 . 4 PHE HD1 H 6.99 0.03 3 13 . 4 PHE HE1 H 7.23 0.03 3 14 . 4 PHE CA C 56.24 0.30 1 15 . 4 PHE CB C 41.81 0.30 1 16 . 4 PHE CD1 C 131.57 0.30 3 17 . 4 PHE CE1 C 131.44 0.30 3 18 . 4 PHE N N 118.24 0.30 1 19 . 5 TYR H H 8.60 0.03 1 20 . 5 TYR HA H 4.35 0.03 1 21 . 5 TYR HB2 H 2.91 0.03 1 22 . 5 TYR HB3 H 3.03 0.03 1 23 . 5 TYR HD1 H 7.11 0.03 3 24 . 5 TYR HE1 H 6.98 0.03 3 25 . 5 TYR CA C 59.43 0.30 1 26 . 5 TYR CB C 38.28 0.30 1 27 . 5 TYR CD1 C 133.31 0.30 3 28 . 5 TYR CE1 C 118.96 0.30 3 29 . 5 TYR N N 121.27 0.30 1 30 . 6 LYS H H 8.79 0.03 1 31 . 6 LYS HA H 4.13 0.03 1 32 . 6 LYS HB2 H 1.75 0.03 1 33 . 6 LYS HB3 H 1.77 0.03 1 34 . 6 LYS HG3 H 1.37 0.03 1 35 . 6 LYS HD3 H 1.70 0.03 1 36 . 6 LYS HE3 H 2.99 0.03 1 37 . 6 LYS CA C 56.74 0.30 1 38 . 6 LYS CB C 33.18 0.30 1 39 . 6 LYS CG C 25.08 0.30 1 40 . 6 LYS CD C 29.35 0.30 1 41 . 6 LYS CE C 41.75 0.30 1 42 . 6 LYS N N 125.38 0.30 1 43 . 7 ALA H H 8.54 0.03 1 44 . 7 ALA HA H 4.32 0.03 1 45 . 7 ALA HB H 1.34 0.03 1 46 . 7 ALA CA C 51.97 0.30 1 47 . 7 ALA CB C 17.64 0.30 1 48 . 7 ALA N N 127.23 0.30 1 49 . 8 GLN H H 7.42 0.03 1 50 . 8 GLN HA H 5.06 0.03 1 51 . 8 GLN HB2 H 1.95 0.03 1 52 . 8 GLN HB3 H 2.28 0.03 1 53 . 8 GLN CA C 53.01 0.30 1 54 . 8 GLN CB C 28.58 0.30 1 55 . 8 GLN N N 121.27 0.30 1 56 . 9 PRO HA H 5.14 0.03 1 57 . 9 PRO HB2 H 1.82 0.03 1 58 . 9 PRO HB3 H 2.75 0.03 1 59 . 9 PRO HG2 H 2.01 0.03 1 60 . 9 PRO HG3 H 2.23 0.03 1 61 . 9 PRO HD2 H 3.80 0.03 1 62 . 9 PRO HD3 H 3.94 0.03 1 63 . 9 PRO CA C 63.52 0.30 1 64 . 9 PRO CB C 32.85 0.30 1 65 . 9 PRO CG C 28.37 0.30 1 66 . 9 PRO CD C 51.51 0.30 1 67 . 10 VAL H H 9.31 0.03 1 68 . 10 VAL HA H 3.71 0.03 1 69 . 10 VAL HB H 2.31 0.03 1 70 . 10 VAL HG1 H 0.90 0.03 1 71 . 10 VAL HG2 H 1.16 0.03 1 72 . 10 VAL CA C 67.28 0.30 1 73 . 10 VAL CB C 30.36 0.30 1 74 . 10 VAL CG1 C 26.12 0.30 1 75 . 10 VAL CG2 C 24.20 0.30 1 76 . 10 VAL N N 127.34 0.30 1 77 . 11 ILE H H 9.39 0.03 1 78 . 11 ILE HA H 3.57 0.03 1 79 . 11 ILE HB H 1.72 0.03 1 80 . 11 ILE HG12 H 0.99 0.03 1 81 . 11 ILE HG13 H 1.44 0.03 1 82 . 11 ILE HG2 H 0.62 0.03 1 83 . 11 ILE HD1 H 0.43 0.03 1 84 . 11 ILE CA C 64.69 0.30 1 85 . 11 ILE CB C 37.08 0.30 1 86 . 11 ILE CG1 C 28.63 0.30 1 87 . 11 ILE CG2 C 17.10 0.30 1 88 . 11 ILE CD1 C 12.90 0.30 1 89 . 11 ILE N N 119.41 0.30 1 90 . 12 ASP H H 6.84 0.03 1 91 . 12 ASP HA H 4.33 0.03 1 92 . 12 ASP HB3 H 2.71 0.03 1 93 . 12 ASP CA C 57.74 0.30 1 94 . 12 ASP CB C 40.49 0.30 1 95 . 12 ASP N N 120.92 0.30 1 96 . 13 PHE H H 7.90 0.03 1 97 . 13 PHE HA H 4.32 0.03 1 98 . 13 PHE HB2 H 3.16 0.03 1 99 . 13 PHE HB3 H 3.28 0.03 1 100 . 13 PHE HD1 H 7.34 0.03 3 101 . 13 PHE HE1 H 7.09 0.03 3 102 . 13 PHE HZ H 6.98 0.03 1 103 . 13 PHE CA C 60.72 0.30 1 104 . 13 PHE CB C 39.57 0.30 1 105 . 13 PHE N N 122.66 0.30 1 106 . 14 MET H H 9.16 0.03 1 107 . 14 MET HA H 3.29 0.03 1 108 . 14 MET HB2 H 0.70 0.03 1 109 . 14 MET HB3 H 1.57 0.03 1 110 . 14 MET HG2 H 1.46 0.03 1 111 . 14 MET HG3 H 2.15 0.03 1 112 . 14 MET HE H 1.64 0.03 1 113 . 14 MET CA C 59.33 0.30 1 114 . 14 MET CB C 30.61 0.30 1 115 . 14 MET CG C 33.10 0.30 1 116 . 14 MET CE C 17.64 0.30 1 117 . 14 MET N N 119.26 0.30 1 118 . 15 CYS H H 7.96 0.03 1 119 . 15 CYS HA H 3.85 0.03 1 120 . 15 CYS HB2 H 3.12 0.03 1 121 . 15 CYS HB3 H 3.28 0.03 1 122 . 15 CYS CA C 64.70 0.30 1 123 . 15 CYS CB C 26.13 0.30 1 124 . 15 CYS N N 115.56 0.30 1 125 . 16 GLU H H 7.81 0.03 1 126 . 16 GLU HA H 4.04 0.03 1 127 . 16 GLU HB2 H 2.14 0.03 1 128 . 16 GLU HB3 H 2.21 0.03 1 129 . 16 GLU HG2 H 2.14 0.03 1 130 . 16 GLU HG3 H 2.41 0.03 1 131 . 16 GLU CA C 59.48 0.30 1 132 . 16 GLU CB C 29.36 0.30 1 133 . 16 GLU CG C 36.39 0.30 1 134 . 16 GLU N N 120.02 0.30 1 135 . 17 VAL H H 8.14 0.03 1 136 . 17 VAL HA H 3.69 0.03 1 137 . 17 VAL HB H 1.92 0.03 1 138 . 17 VAL HG1 H 0.74 0.03 1 139 . 17 VAL HG2 H 0.58 0.03 1 140 . 17 VAL CA C 65.05 0.30 1 141 . 17 VAL CB C 32.10 0.30 1 142 . 17 VAL CG1 C 21.64 0.30 1 143 . 17 VAL CG2 C 21.61 0.30 1 144 . 17 VAL N N 117.53 0.30 1 145 . 18 LEU H H 7.79 0.03 1 146 . 18 LEU HA H 4.37 0.03 1 147 . 18 LEU HB3 H 1.59 0.03 1 148 . 18 LEU HG H 1.67 0.03 1 149 . 18 LEU HD1 H 0.65 0.03 1 150 . 18 LEU HD2 H 0.98 0.03 1 151 . 18 LEU CA C 53.75 0.30 1 152 . 18 LEU CB C 42.06 0.30 1 153 . 18 LEU CG C 26.38 0.30 1 154 . 18 LEU CD1 C 27.37 0.30 1 155 . 18 LEU CD2 C 22.64 0.30 1 156 . 18 LEU N N 114.85 0.30 1 157 . 19 ASP H H 7.60 0.03 1 158 . 19 ASP HA H 4.22 0.03 1 159 . 19 ASP HB2 H 2.48 0.03 1 160 . 19 ASP HB3 H 3.05 0.03 1 161 . 19 ASP CA C 55.37 0.30 1 162 . 19 ASP CB C 39.31 0.30 1 163 . 19 ASP N N 119.62 0.30 1 164 . 20 ILE H H 8.42 0.03 1 165 . 20 ILE HA H 4.06 0.03 1 166 . 20 ILE HB H 1.50 0.03 1 167 . 20 ILE HG12 H 0.90 0.03 1 168 . 20 ILE HG13 H 1.42 0.03 1 169 . 20 ILE HG2 H 0.74 0.03 1 170 . 20 ILE HD1 H 0.66 0.03 1 171 . 20 ILE CA C 60.68 0.30 1 172 . 20 ILE CB C 39.76 0.30 1 173 . 20 ILE CG1 C 26.63 0.30 1 174 . 20 ILE CG2 C 17.42 0.30 1 175 . 20 ILE CD1 C 14.18 0.30 1 176 . 20 ILE N N 119.31 0.30 1 177 . 21 ARG H H 8.63 0.03 1 178 . 21 ARG HA H 4.04 0.03 1 179 . 21 ARG HB3 H 1.81 0.03 1 180 . 21 ARG HG3 H 1.60 0.03 1 181 . 21 ARG HD3 H 3.18 0.03 1 182 . 21 ARG CA C 57.74 0.30 1 183 . 21 ARG CB C 30.36 0.30 1 184 . 21 ARG CG C 26.88 0.30 1 185 . 21 ARG CD C 43.09 0.30 1 186 . 21 ARG N N 127.17 0.30 1 187 . 22 ASP H H 7.47 0.03 1 188 . 22 ASP HA H 4.71 0.03 1 189 . 22 ASP HB3 H 2.59 0.03 1 190 . 22 ASP CA C 52.76 0.30 1 191 . 22 ASP CB C 42.66 0.30 1 192 . 22 ASP N N 116.28 0.30 1 193 . 23 ILE H H 9.09 0.03 1 194 . 23 ILE HA H 3.94 0.03 1 195 . 23 ILE HB H 1.68 0.03 1 196 . 23 ILE HG12 H 0.82 0.03 1 197 . 23 ILE HG13 H 1.17 0.03 1 198 . 23 ILE HG2 H 0.82 0.03 1 199 . 23 ILE HD1 H 0.54 0.03 1 200 . 23 ILE CA C 60.52 0.30 1 201 . 23 ILE CB C 38.03 0.30 1 202 . 23 ILE CG1 C 28.65 0.30 1 203 . 23 ILE CG2 C 18.41 0.30 1 204 . 23 ILE CD1 C 14.43 0.30 1 205 . 23 ILE N N 127.85 0.30 1 206 . 24 ASN H H 8.60 0.03 1 207 . 24 ASN HA H 4.56 0.03 1 208 . 24 ASN HB2 H 2.75 0.03 1 209 . 24 ASN HB3 H 2.87 0.03 1 210 . 24 ASN CA C 55.25 0.30 1 211 . 24 ASN CB C 38.08 0.30 1 212 . 24 ASN N N 119.84 0.30 1 213 . 25 GLU H H 7.93 0.03 1 214 . 25 GLU HA H 4.28 0.03 1 215 . 25 GLU HB2 H 2.06 0.03 1 216 . 25 GLU HB3 H 2.26 0.03 1 217 . 25 GLU HG2 H 2.20 0.03 1 218 . 25 GLU HG3 H 2.35 0.03 1 219 . 25 GLU CA C 56.50 0.30 1 220 . 25 GLU CB C 29.86 0.30 1 221 . 25 GLU CG C 36.61 0.30 1 222 . 25 GLU N N 116.08 0.30 1 223 . 26 GLN H H 7.72 0.03 1 224 . 26 GLN HA H 4.46 0.03 1 225 . 26 GLN HB2 H 2.40 0.03 1 226 . 26 GLN HB3 H 1.89 0.03 1 227 . 26 GLN HG2 H 2.03 0.03 1 228 . 26 GLN HG3 H 2.37 0.03 1 229 . 26 GLN CA C 53.51 0.30 1 230 . 26 GLN CB C 27.62 0.30 1 231 . 26 GLN CG C 33.55 0.30 1 232 . 26 GLN N N 122.34 0.30 1 233 . 27 ARG HA H 4.08 0.03 1 234 . 27 ARG HB2 H 1.57 0.03 1 235 . 27 ARG HB3 H 1.78 0.03 1 236 . 27 ARG HG3 H 1.51 0.03 1 237 . 27 ARG HD3 H 3.17 0.03 1 238 . 27 ARG CA C 55.99 0.30 1 239 . 27 ARG CB C 30.61 0.30 1 240 . 27 ARG CD C 43.05 0.30 1 241 . 28 LYS H H 7.57 0.03 1 242 . 28 LYS HA H 4.65 0.03 1 243 . 28 LYS HB2 H 1.67 0.03 1 244 . 28 LYS HB3 H 1.88 0.03 1 245 . 28 LYS HG2 H 1.37 0.03 1 246 . 28 LYS HG3 H 1.44 0.03 1 247 . 28 LYS HD3 H 1.68 0.03 1 248 . 28 LYS HE3 H 2.97 0.03 1 249 . 28 LYS CA C 53.51 0.30 1 250 . 28 LYS CB C 32.85 0.30 1 251 . 28 LYS CG C 24.64 0.30 1 252 . 28 LYS CD C 29.12 0.30 1 253 . 28 LYS CE C 41.84 0.30 1 254 . 28 LYS N N 119.10 0.30 1 255 . 29 PRO HA H 4.63 0.03 1 256 . 29 PRO HB2 H 1.85 0.03 1 257 . 29 PRO HB3 H 2.50 0.03 1 258 . 29 PRO HG2 H 2.13 0.03 1 259 . 29 PRO HG3 H 2.08 0.03 1 260 . 29 PRO HD2 H 3.61 0.03 1 261 . 29 PRO HD3 H 3.88 0.03 1 262 . 29 PRO CA C 62.69 0.30 1 263 . 29 PRO CB C 32.60 0.30 1 264 . 29 PRO CG C 27.87 0.30 1 265 . 29 PRO CD C 50.77 0.30 1 266 . 30 LEU H H 9.06 0.03 1 267 . 30 LEU HA H 4.29 0.03 1 268 . 30 LEU HB2 H 1.49 0.03 1 269 . 30 LEU HB3 H 1.60 0.03 1 270 . 30 LEU HG H 1.73 0.03 1 271 . 30 LEU HD1 H 0.67 0.03 1 272 . 30 LEU HD2 H 0.56 0.03 1 273 . 30 LEU CA C 54.75 0.30 1 274 . 30 LEU CB C 41.81 0.30 1 275 . 30 LEU CG C 27.31 0.30 1 276 . 30 LEU CD1 C 25.36 0.30 1 277 . 30 LEU CD2 C 20.65 0.30 1 278 . 30 LEU N N 120.56 0.30 1 279 . 31 THR H H 9.16 0.03 1 280 . 31 THR HA H 4.41 0.03 1 281 . 31 THR HB H 4.76 0.03 1 282 . 31 THR HG2 H 1.35 0.03 1 283 . 31 THR CA C 60.79 0.30 1 284 . 31 THR CB C 70.75 0.30 1 285 . 31 THR CG2 C 21.96 0.30 1 286 . 31 THR N N 114.31 0.30 1 287 . 32 ASP H H 9.04 0.03 1 288 . 32 ASP HA H 4.41 0.03 1 289 . 32 ASP HB3 H 2.71 0.03 1 290 . 32 ASP CA C 58.48 0.30 1 291 . 32 ASP CB C 40.47 0.30 1 292 . 32 ASP N N 121.27 0.30 1 293 . 33 SER H H 8.53 0.03 1 294 . 33 SER HA H 4.13 0.03 1 295 . 33 SER HB3 H 3.86 0.03 1 296 . 33 SER CA C 61.57 0.30 1 297 . 33 SER CB C 62.22 0.30 1 298 . 33 SER N N 112.96 0.30 1 299 . 34 GLN H H 7.73 0.03 1 300 . 34 GLN HA H 4.01 0.03 1 301 . 34 GLN HB2 H 2.54 0.03 1 302 . 34 GLN HB3 H 1.80 0.03 1 303 . 34 GLN HG2 H 2.33 0.03 1 304 . 34 GLN HG3 H 2.60 0.03 1 305 . 34 GLN CA C 58.48 0.30 1 306 . 34 GLN CB C 30.86 0.30 1 307 . 34 GLN CG C 34.88 0.30 1 308 . 34 GLN N N 121.63 0.30 1 309 . 35 ARG H H 8.96 0.03 1 310 . 35 ARG HA H 3.82 0.03 1 311 . 35 ARG HB2 H 1.91 0.03 1 312 . 35 ARG HB3 H 2.15 0.03 1 313 . 35 ARG HG3 H 1.44 0.03 1 314 . 35 ARG HD2 H 3.23 0.03 1 315 . 35 ARG HD3 H 3.44 0.03 1 316 . 35 ARG CA C 60.72 0.30 1 317 . 35 ARG CB C 29.36 0.30 1 318 . 35 ARG CG C 28.37 0.30 1 319 . 35 ARG CD C 42.55 0.30 1 320 . 35 ARG N N 119.67 0.30 1 321 . 36 VAL H H 8.97 0.03 1 322 . 36 VAL HA H 3.60 0.03 1 323 . 36 VAL HB H 2.14 0.03 1 324 . 36 VAL HG1 H 1.10 0.03 1 325 . 36 VAL HG2 H 0.98 0.03 1 326 . 36 VAL CA C 67.42 0.30 1 327 . 36 VAL CB C 31.99 0.30 1 328 . 36 VAL CG1 C 22.89 0.30 1 329 . 36 VAL CG2 C 21.00 0.30 1 330 . 36 VAL N N 123.59 0.30 1 331 . 37 LYS H H 7.61 0.03 1 332 . 37 LYS HA H 4.03 0.03 1 333 . 37 LYS HB2 H 1.87 0.03 1 334 . 37 LYS HB3 H 1.93 0.03 1 335 . 37 LYS HG2 H 1.27 0.03 1 336 . 37 LYS HG3 H 1.46 0.03 1 337 . 37 LYS HD3 H 1.68 0.03 1 338 . 37 LYS HE3 H 2.97 0.03 1 339 . 37 LYS CA C 59.73 0.30 1 340 . 37 LYS CB C 32.35 0.30 1 341 . 37 LYS CG C 25.38 0.30 1 342 . 37 LYS CD C 29.33 0.30 1 343 . 37 LYS CE C 41.91 0.30 1 344 . 37 LYS N N 121.07 0.30 1 345 . 38 PHE H H 8.39 0.03 1 346 . 38 PHE HA H 4.38 0.03 1 347 . 38 PHE HB2 H 3.09 0.03 1 348 . 38 PHE HB3 H 3.17 0.03 1 349 . 38 PHE HD1 H 7.01 0.03 3 350 . 38 PHE HE1 H 7.08 0.03 3 351 . 38 PHE CA C 59.23 0.30 1 352 . 38 PHE CB C 39.57 0.30 1 353 . 38 PHE N N 116.43 0.30 1 354 . 39 THR H H 8.64 0.03 1 355 . 39 THR HA H 3.38 0.03 1 356 . 39 THR HB H 4.33 0.03 1 357 . 39 THR HG2 H 1.19 0.03 1 358 . 39 THR CA C 67.47 0.30 1 359 . 39 THR CB C 68.42 0.30 1 360 . 39 THR CG2 C 21.15 0.30 1 361 . 39 THR N N 115.74 0.30 1 362 . 40 LYS H H 7.72 0.03 1 363 . 40 LYS HA H 3.91 0.03 1 364 . 40 LYS HB3 H 1.94 0.03 1 365 . 40 LYS HG2 H 1.48 0.03 1 366 . 40 LYS HG3 H 1.60 0.03 1 367 . 40 LYS HD3 H 1.68 0.03 1 368 . 40 LYS HE3 H 2.97 0.03 1 369 . 40 LYS CA C 59.19 0.30 1 370 . 40 LYS CB C 32.39 0.30 1 371 . 40 LYS CG C 25.23 0.30 1 372 . 40 LYS CD C 29.38 0.30 1 373 . 40 LYS CE C 41.81 0.30 1 374 . 40 LYS N N 118.06 0.30 1 375 . 41 GLU H H 7.23 0.03 1 376 . 41 GLU HA H 4.44 0.03 1 377 . 41 GLU HB2 H 1.95 0.03 1 378 . 41 GLU HB3 H 2.36 0.03 1 379 . 41 GLU HG2 H 2.33 0.03 1 380 . 41 GLU HG3 H 2.50 0.03 1 381 . 41 GLU CA C 57.13 0.30 1 382 . 41 GLU CB C 30.14 0.30 1 383 . 41 GLU CG C 35.65 0.30 1 384 . 41 GLU N N 114.67 0.30 1 385 . 42 ILE H H 7.71 0.03 1 386 . 42 ILE HA H 4.38 0.03 1 387 . 42 ILE HB H 1.22 0.03 1 388 . 42 ILE HG12 H 1.24 0.03 1 389 . 42 ILE HG13 H 1.32 0.03 1 390 . 42 ILE HG2 H 0.69 0.03 1 391 . 42 ILE HD1 H 0.21 0.03 1 392 . 42 ILE CA C 60.23 0.30 1 393 . 42 ILE CB C 40.56 0.30 1 394 . 42 ILE CG1 C 30.36 0.30 1 395 . 42 ILE CG2 C 15.93 0.30 1 396 . 42 ILE CD1 C 16.38 0.30 1 397 . 42 ILE N N 115.92 0.30 1 398 . 43 LYS H H 7.85 0.03 1 399 . 43 LYS HA H 3.36 0.03 1 400 . 43 LYS HB3 H 1.71 0.03 1 401 . 43 LYS HG3 H 1.23 0.03 1 402 . 43 LYS HD3 H 1.59 0.03 1 403 . 43 LYS HE3 H 2.96 0.03 1 404 . 43 LYS CA C 59.51 0.30 1 405 . 43 LYS CB C 31.85 0.30 1 406 . 43 LYS CG C 25.30 0.30 1 407 . 43 LYS CD C 29.79 0.30 1 408 . 43 LYS CE C 41.53 0.30 1 409 . 43 LYS N N 123.23 0.30 1 410 . 44 GLY H H 8.73 0.03 1 411 . 44 GLY HA2 H 3.54 0.03 1 412 . 44 GLY HA3 H 4.38 0.03 1 413 . 44 GLY CA C 45.04 0.30 1 414 . 44 GLY N N 113.45 0.30 1 415 . 45 LEU H H 7.99 0.03 1 416 . 45 LEU HA H 4.35 0.03 1 417 . 45 LEU HB2 H 1.06 0.03 1 418 . 45 LEU HB3 H 1.74 0.03 1 419 . 45 LEU HG H 1.41 0.03 1 420 . 45 LEU HD1 H 0.28 0.03 1 421 . 45 LEU HD2 H 0.47 0.03 1 422 . 45 LEU CA C 54.67 0.30 1 423 . 45 LEU CB C 42.06 0.30 1 424 . 45 LEU CG C 26.91 0.30 1 425 . 45 LEU CD1 C 25.57 0.30 1 426 . 45 LEU CD2 C 22.40 0.30 1 427 . 45 LEU N N 120.63 0.30 1 428 . 46 LYS H H 9.37 0.03 1 429 . 46 LYS HA H 5.18 0.03 1 430 . 46 LYS HB3 H 1.49 0.03 1 431 . 46 LYS HG2 H 1.25 0.03 1 432 . 46 LYS HG3 H 1.45 0.03 1 433 . 46 LYS HD2 H 1.52 0.03 1 434 . 46 LYS HD3 H 1.59 0.03 1 435 . 46 LYS HE3 H 2.82 0.03 1 436 . 46 LYS CA C 55.52 0.30 1 437 . 46 LYS CB C 33.41 0.30 1 438 . 46 LYS CG C 25.63 0.30 1 439 . 46 LYS CD C 29.61 0.30 1 440 . 46 LYS CE C 41.56 0.30 1 441 . 46 LYS N N 118.95 0.30 1 442 . 47 ILE H H 9.21 0.03 1 443 . 47 ILE HA H 5.35 0.03 1 444 . 47 ILE HB H 1.82 0.03 1 445 . 47 ILE HG13 H 1.48 0.03 1 446 . 47 ILE HG2 H 0.57 0.03 1 447 . 47 ILE HD1 H 0.80 0.03 1 448 . 47 ILE CA C 57.24 0.30 1 449 . 47 ILE CB C 44.05 0.30 1 450 . 47 ILE CG1 C 26.38 0.30 1 451 . 47 ILE CG2 C 21.31 0.30 1 452 . 47 ILE CD1 C 16.92 0.30 1 453 . 47 ILE N N 115.92 0.30 1 454 . 48 GLU H H 9.17 0.03 1 455 . 48 GLU HA H 5.66 0.03 1 456 . 48 GLU HB2 H 1.73 0.03 1 457 . 48 GLU HB3 H 1.77 0.03 1 458 . 48 GLU HG2 H 1.96 0.03 1 459 . 48 GLU HG3 H 2.12 0.03 1 460 . 48 GLU CA C 52.76 0.30 1 461 . 48 GLU CB C 32.85 0.30 1 462 . 48 GLU CG C 35.34 0.30 1 463 . 48 GLU N N 117.17 0.30 1 464 . 49 ILE H H 7.97 0.03 1 465 . 49 ILE HA H 5.64 0.03 1 466 . 49 ILE HB H 2.62 0.03 1 467 . 49 ILE HG12 H 1.46 0.03 1 468 . 49 ILE HG13 H 1.71 0.03 1 469 . 49 ILE HG2 H 1.19 0.03 1 470 . 49 ILE HD1 H 0.97 0.03 1 471 . 49 ILE CA C 59.60 0.30 1 472 . 49 ILE CB C 39.57 0.30 1 473 . 49 ILE CG1 C 26.13 0.30 1 474 . 49 ILE CG2 C 20.73 0.30 1 475 . 49 ILE CD1 C 14.93 0.30 1 476 . 49 ILE N N 115.21 0.30 1 477 . 50 THR H H 8.95 0.03 1 478 . 50 THR HA H 4.54 0.03 1 479 . 50 THR HB H 4.41 0.03 1 480 . 50 THR HG2 H 0.98 0.03 1 481 . 50 THR CA C 61.72 0.30 1 482 . 50 THR CB C 70.07 0.30 1 483 . 50 THR CG2 C 20.90 0.30 1 484 . 50 THR N N 109.71 0.30 1 485 . 51 HIS H H 9.40 0.03 1 486 . 51 HIS HA H 4.78 0.03 1 487 . 51 HIS HB2 H 2.94 0.03 1 488 . 51 HIS HB3 H 3.20 0.03 1 489 . 51 HIS HE1 H 7.49 0.03 1 490 . 51 HIS CA C 57.49 0.30 1 491 . 51 HIS CB C 31.11 0.30 1 492 . 51 HIS CE1 C 138.15 0.30 1 493 . 51 HIS N N 120.65 0.30 1 494 . 52 CYS H H 8.09 0.03 1 495 . 52 CYS HA H 4.56 0.03 1 496 . 52 CYS HB2 H 2.42 0.03 1 497 . 52 CYS HB3 H 2.87 0.03 1 498 . 52 CYS CA C 57.90 0.30 1 499 . 52 CYS CB C 27.91 0.30 1 500 . 52 CYS N N 119.82 0.30 1 501 . 53 GLY H H 8.35 0.03 1 502 . 53 GLY HA2 H 3.76 0.03 1 503 . 53 GLY HA3 H 4.17 0.03 1 504 . 53 GLY CA C 45.30 0.30 1 505 . 53 GLY N N 109.61 0.30 1 506 . 54 GLN HA H 4.13 0.03 1 507 . 54 GLN HB2 H 1.97 0.03 1 508 . 54 GLN HB3 H 2.15 0.03 1 509 . 54 GLN HG3 H 2.36 0.03 1 510 . 54 GLN CA C 56.64 0.30 1 511 . 54 GLN CB C 29.12 0.30 1 512 . 54 GLN CG C 33.84 0.30 1 513 . 55 MET H H 7.97 0.03 1 514 . 55 MET HA H 4.43 0.03 1 515 . 55 MET HB3 H 2.06 0.03 1 516 . 55 MET HG2 H 2.47 0.03 1 517 . 55 MET HG3 H 2.55 0.03 1 518 . 55 MET CA C 55.23 0.30 1 519 . 55 MET CB C 31.32 0.30 1 520 . 55 MET CG C 32.10 0.30 1 521 . 55 MET CE C 16.92 0.30 1 522 . 55 MET N N 120.02 0.30 1 523 . 56 ARG H H 8.30 0.03 1 524 . 56 ARG HA H 4.31 0.03 1 525 . 56 ARG HB2 H 1.70 0.03 1 526 . 56 ARG HB3 H 1.76 0.03 1 527 . 56 ARG HG2 H 1.55 0.03 1 528 . 56 ARG HG3 H 1.66 0.03 1 529 . 56 ARG HD2 H 2.95 0.03 1 530 . 56 ARG HD3 H 3.08 0.03 1 531 . 56 ARG CA C 55.99 0.30 1 532 . 56 ARG CB C 30.11 0.30 1 533 . 56 ARG CG C 27.12 0.30 1 534 . 56 ARG CD C 43.80 0.30 1 535 . 56 ARG N N 124.86 0.30 1 536 . 57 ARG H H 7.68 0.03 1 537 . 57 ARG HA H 4.12 0.03 1 538 . 57 ARG HB2 H 1.55 0.03 1 539 . 57 ARG HB3 H 1.62 0.03 1 540 . 57 ARG HG2 H 1.50 0.03 1 541 . 57 ARG HG3 H 1.33 0.03 1 542 . 57 ARG HD3 H 3.09 0.03 1 543 . 57 ARG CA C 56.49 0.30 1 544 . 57 ARG CB C 31.66 0.30 1 545 . 57 ARG CG C 27.37 0.30 1 546 . 57 ARG CD C 43.28 0.30 1 547 . 57 ARG N N 124.65 0.30 1 548 . 58 LYS H H 7.95 0.03 1 549 . 58 LYS HA H 5.48 0.03 1 550 . 58 LYS HB2 H 1.55 0.03 1 551 . 58 LYS HB3 H 1.65 0.03 1 552 . 58 LYS HG2 H 1.32 0.03 1 553 . 58 LYS HG3 H 1.54 0.03 1 554 . 58 LYS HD3 H 1.63 0.03 1 555 . 58 LYS HE3 H 3.00 0.03 1 556 . 58 LYS CA C 54.58 0.30 1 557 . 58 LYS CB C 35.40 0.30 1 558 . 58 LYS CG C 25.63 0.30 1 559 . 58 LYS CD C 29.60 0.30 1 560 . 58 LYS CE C 42.06 0.30 1 561 . 58 LYS N N 120.20 0.30 1 562 . 59 TYR H H 8.97 0.03 1 563 . 59 TYR HA H 4.85 0.03 1 564 . 59 TYR HB2 H 2.26 0.03 1 565 . 59 TYR HB3 H 3.01 0.03 1 566 . 59 TYR HD1 H 6.89 0.03 3 567 . 59 TYR HE1 H 6.60 0.03 3 568 . 59 TYR CA C 56.49 0.30 1 569 . 59 TYR CB C 44.55 0.30 1 570 . 59 TYR CD1 C 133.49 0.30 3 571 . 59 TYR N N 117.70 0.30 1 572 . 60 ARG H H 8.96 0.03 1 573 . 60 ARG HA H 4.78 0.03 1 574 . 60 ARG HB3 H 1.69 0.03 1 575 . 60 ARG HG2 H 1.37 0.03 1 576 . 60 ARG HG3 H 1.47 0.03 1 577 . 60 ARG HD3 H 3.15 0.03 1 578 . 60 ARG CA C 55.25 0.30 1 579 . 60 ARG CB C 31.28 0.30 1 580 . 60 ARG CG C 27.87 0.30 1 581 . 60 ARG CD C 43.13 0.30 1 582 . 60 ARG N N 121.27 0.30 1 583 . 61 VAL H H 8.80 0.03 1 584 . 61 VAL HA H 3.81 0.03 1 585 . 61 VAL HB H 2.32 0.03 1 586 . 61 VAL HG1 H 0.92 0.03 1 587 . 61 VAL HG2 H 0.81 0.03 1 588 . 61 VAL CA C 64.46 0.30 1 589 . 61 VAL CB C 31.92 0.30 1 590 . 61 VAL CG1 C 24.36 0.30 1 591 . 61 VAL CG2 C 23.14 0.30 1 592 . 61 VAL N N 124.66 0.30 1 593 . 62 CYS H H 9.21 0.03 1 594 . 62 CYS HA H 4.64 0.03 1 595 . 62 CYS HB2 H 2.77 0.03 1 596 . 62 CYS HB3 H 2.84 0.03 1 597 . 62 CYS CA C 58.92 0.30 1 598 . 62 CYS CB C 28.62 0.30 1 599 . 62 CYS N N 127.14 0.30 1 600 . 63 ASN H H 8.01 0.03 1 601 . 63 ASN HA H 4.53 0.03 1 602 . 63 ASN HB2 H 2.57 0.03 1 603 . 63 ASN HB3 H 2.81 0.03 1 604 . 63 ASN CA C 51.75 0.30 1 605 . 63 ASN CB C 41.46 0.30 1 606 . 63 ASN N N 115.21 0.30 1 607 . 64 VAL H H 8.32 0.03 1 608 . 64 VAL HA H 4.71 0.03 1 609 . 64 VAL HB H 2.08 0.03 1 610 . 64 VAL HG1 H 0.47 0.03 1 611 . 64 VAL HG2 H 1.01 0.03 1 612 . 64 VAL CA C 60.97 0.30 1 613 . 64 VAL CB C 33.59 0.30 1 614 . 64 VAL CG1 C 22.70 0.30 1 615 . 64 VAL CG2 C 20.90 0.30 1 616 . 64 VAL N N 120.92 0.30 1 617 . 65 THR H H 9.04 0.03 1 618 . 65 THR HA H 4.14 0.03 1 619 . 65 THR HB H 4.62 0.03 1 620 . 65 THR HG2 H 1.01 0.03 1 621 . 65 THR CA C 62.63 0.30 1 622 . 65 THR CB C 69.72 0.30 1 623 . 65 THR CG2 C 23.89 0.30 1 624 . 65 THR N N 118.77 0.30 1 625 . 66 ARG H H 8.33 0.03 1 626 . 66 ARG HA H 4.01 0.03 1 627 . 66 ARG HB2 H 1.54 0.03 1 628 . 66 ARG HB3 H 1.84 0.03 1 629 . 66 ARG HG2 H 1.54 0.03 1 630 . 66 ARG HG3 H 1.72 0.03 1 631 . 66 ARG HD2 H 3.21 0.03 1 632 . 66 ARG HD3 H 3.44 0.03 1 633 . 66 ARG CA C 57.98 0.30 1 634 . 66 ARG CB C 30.86 0.30 1 635 . 66 ARG CG C 28.08 0.30 1 636 . 66 ARG CD C 43.30 0.30 1 637 . 66 ARG N N 117.88 0.30 1 638 . 67 ARG H H 7.70 0.03 1 639 . 67 ARG HA H 4.61 0.03 1 640 . 67 ARG HB2 H 1.52 0.03 1 641 . 67 ARG HB3 H 1.88 0.03 1 642 . 67 ARG HG2 H 1.70 0.03 1 643 . 67 ARG HG3 H 1.76 0.03 1 644 . 67 ARG HD3 H 3.05 0.03 1 645 . 67 ARG CA C 53.51 0.30 1 646 . 67 ARG CB C 30.36 0.30 1 647 . 67 ARG CG C 27.87 0.30 1 648 . 67 ARG CD C 43.73 0.30 1 649 . 67 ARG N N 116.28 0.30 1 650 . 68 PRO HA H 4.13 0.03 1 651 . 68 PRO HB2 H 2.21 0.03 1 652 . 68 PRO HB3 H 2.35 0.03 1 653 . 68 PRO HG2 H 1.91 0.03 1 654 . 68 PRO HG3 H 2.07 0.03 1 655 . 68 PRO HD2 H 3.62 0.03 1 656 . 68 PRO HD3 H 3.91 0.03 1 657 . 68 PRO CA C 61.54 0.30 1 658 . 68 PRO CB C 33.35 0.30 1 659 . 68 PRO CG C 27.62 0.30 1 660 . 68 PRO CD C 51.02 0.30 1 661 . 69 ALA H H 8.46 0.03 1 662 . 69 ALA HA H 3.69 0.03 1 663 . 69 ALA HB H 1.29 0.03 1 664 . 69 ALA CA C 56.24 0.30 1 665 . 69 ALA CB C 18.72 0.30 1 666 . 69 ALA N N 124.84 0.30 1 667 . 70 GLN H H 8.30 0.03 1 668 . 70 GLN HA H 4.09 0.03 1 669 . 70 GLN HB3 H 1.82 0.03 1 670 . 70 GLN HG3 H 2.33 0.03 1 671 . 70 GLN CA C 57.20 0.30 1 672 . 70 GLN CB C 29.02 0.30 1 673 . 70 GLN CG C 32.37 0.30 1 674 . 70 GLN N N 110.56 0.30 1 675 . 71 MET H H 7.51 0.03 1 676 . 71 MET HA H 4.74 0.03 1 677 . 71 MET HB2 H 1.70 0.03 1 678 . 71 MET HB3 H 2.23 0.03 1 679 . 71 MET HG2 H 2.46 0.03 1 680 . 71 MET HG3 H 2.58 0.03 1 681 . 71 MET HE H 2.10 0.03 1 682 . 71 MET CA C 54.50 0.30 1 683 . 71 MET CB C 36.33 0.30 1 684 . 71 MET CG C 32.35 0.30 1 685 . 71 MET CE C 17.17 0.30 1 686 . 71 MET N N 112.86 0.30 1 687 . 72 GLN H H 8.08 0.03 1 688 . 72 GLN HA H 3.81 0.03 1 689 . 72 GLN HB2 H 1.56 0.03 1 690 . 72 GLN HB3 H 1.91 0.03 1 691 . 72 GLN HG3 H 1.69 0.03 1 692 . 72 GLN CA C 55.99 0.30 1 693 . 72 GLN CB C 27.87 0.30 1 694 . 72 GLN N N 122.16 0.30 1 695 . 73 SER H H 8.46 0.03 1 696 . 73 SER HA H 5.58 0.03 1 697 . 73 SER HB2 H 3.52 0.03 1 698 . 73 SER HB3 H 3.65 0.03 1 699 . 73 SER CA C 56.71 0.30 1 700 . 73 SER CB C 66.45 0.30 1 701 . 73 SER N N 124.30 0.30 1 702 . 74 PHE H H 8.54 0.03 1 703 . 74 PHE HA H 5.06 0.03 1 704 . 74 PHE HB3 H 3.19 0.03 1 705 . 74 PHE HD1 H 7.03 0.03 3 706 . 74 PHE HE1 H 6.93 0.03 3 707 . 74 PHE HZ H 6.33 0.03 1 708 . 74 PHE CA C 55.00 0.30 1 709 . 74 PHE CB C 39.57 0.30 1 710 . 74 PHE CD1 C 133.12 0.30 3 711 . 74 PHE CZ C 128.85 0.30 1 712 . 74 PHE N N 119.01 0.30 1 713 . 75 PRO HA H 4.61 0.03 1 714 . 75 PRO HB2 H 1.81 0.03 1 715 . 75 PRO HB3 H 2.02 0.03 1 716 . 75 PRO HG2 H 1.95 0.03 1 717 . 75 PRO HG3 H 2.15 0.03 1 718 . 75 PRO HD2 H 3.62 0.03 1 719 . 75 PRO HD3 H 3.76 0.03 1 720 . 75 PRO CA C 61.72 0.30 1 721 . 75 PRO CB C 30.95 0.30 1 722 . 75 PRO CG C 27.37 0.30 1 723 . 75 PRO CD C 50.27 0.30 1 724 . 76 LEU H H 9.05 0.03 1 725 . 76 LEU HA H 4.51 0.03 1 726 . 76 LEU HB2 H 1.06 0.03 1 727 . 76 LEU HB3 H 1.75 0.03 1 728 . 76 LEU HG H 1.39 0.03 1 729 . 76 LEU HD1 H 0.90 0.03 1 730 . 76 LEU HD2 H 1.05 0.03 1 731 . 76 LEU CA C 53.75 0.30 1 732 . 76 LEU CB C 44.55 0.30 1 733 . 76 LEU CG C 27.12 0.30 1 734 . 76 LEU CD1 C 26.48 0.30 1 735 . 76 LEU CD2 C 24.31 0.30 1 736 . 76 LEU N N 129.30 0.30 1 737 . 77 GLN H H 8.57 0.03 1 738 . 77 GLN HA H 4.72 0.03 1 739 . 77 GLN HB2 H 1.95 0.03 1 740 . 77 GLN HB3 H 2.05 0.03 1 741 . 77 GLN HG2 H 2.21 0.03 1 742 . 77 GLN HG3 H 2.38 0.03 1 743 . 77 GLN CA C 55.46 0.30 1 744 . 77 GLN CB C 29.36 0.30 1 745 . 77 GLN CG C 34.09 0.30 1 746 . 77 GLN N N 125.45 0.30 1 747 . 78 LEU H H 8.91 0.03 1 748 . 78 LEU HA H 4.54 0.03 1 749 . 78 LEU HB2 H 1.60 0.03 1 750 . 78 LEU HB3 H 2.04 0.03 1 751 . 78 LEU HG H 1.66 0.03 1 752 . 78 LEU HD1 H 0.88 0.03 1 753 . 78 LEU HD2 H 0.81 0.03 1 754 . 78 LEU CA C 54.00 0.30 1 755 . 78 LEU CB C 42.55 0.30 1 756 . 78 LEU CG C 26.88 0.30 1 757 . 78 LEU CD1 C 25.63 0.30 1 758 . 78 LEU CD2 C 22.15 0.30 1 759 . 78 LEU N N 126.82 0.30 1 760 . 79 GLU H H 8.93 0.03 1 761 . 79 GLU HA H 4.08 0.03 1 762 . 79 GLU HB3 H 2.05 0.03 1 763 . 79 GLU HG3 H 2.34 0.03 1 764 . 79 GLU CA C 58.98 0.30 1 765 . 79 GLU CB C 29.36 0.30 1 766 . 79 GLU CG C 36.33 0.30 1 767 . 79 GLU N N 121.44 0.30 1 768 . 80 ASN H H 7.78 0.03 1 769 . 80 ASN HA H 4.55 0.03 1 770 . 80 ASN HB2 H 2.82 0.03 1 771 . 80 ASN HB3 H 3.19 0.03 1 772 . 80 ASN CA C 52.72 0.30 1 773 . 80 ASN CB C 37.33 0.30 1 774 . 80 ASN N N 114.49 0.30 1 775 . 81 GLY H H 8.13 0.03 1 776 . 81 GLY HA2 H 3.64 0.03 1 777 . 81 GLY HA3 H 4.31 0.03 1 778 . 81 GLY CA C 45.08 0.30 1 779 . 81 GLY N N 107.71 0.30 1 780 . 82 GLN H H 7.90 0.03 1 781 . 82 GLN HA H 4.38 0.03 1 782 . 82 GLN HB3 H 2.08 0.03 1 783 . 82 GLN HG2 H 2.29 0.03 1 784 . 82 GLN HG3 H 2.24 0.03 1 785 . 82 GLN CA C 55.50 0.30 1 786 . 82 GLN CB C 29.73 0.30 1 787 . 82 GLN CG C 34.00 0.30 1 788 . 82 GLN N N 120.81 0.30 1 789 . 83 THR H H 8.45 0.03 1 790 . 83 THR HA H 5.19 0.03 1 791 . 83 THR HB H 3.86 0.03 1 792 . 83 THR HG2 H 1.04 0.03 1 793 . 83 THR CA C 61.47 0.30 1 794 . 83 THR CB C 70.43 0.30 1 795 . 83 THR CG2 C 21.65 0.30 1 796 . 83 THR N N 116.68 0.30 1 797 . 84 VAL H H 8.90 0.03 1 798 . 84 VAL HA H 4.57 0.03 1 799 . 84 VAL HB H 2.08 0.03 1 800 . 84 VAL HG1 H 0.88 0.03 1 801 . 84 VAL HG2 H 0.85 0.03 1 802 . 84 VAL CA C 59.12 0.30 1 803 . 84 VAL CB C 35.31 0.30 1 804 . 84 VAL CG1 C 21.40 0.30 1 805 . 84 VAL CG2 C 19.41 0.30 1 806 . 84 VAL N N 121.99 0.30 1 807 . 85 GLU H H 8.38 0.03 1 808 . 85 GLU HA H 4.45 0.03 1 809 . 85 GLU HB3 H 1.77 0.03 1 810 . 85 GLU HG2 H 1.97 0.03 1 811 . 85 GLU HG3 H 2.08 0.03 1 812 . 85 GLU CA C 56.09 0.30 1 813 . 85 GLU CB C 30.36 0.30 1 814 . 85 GLU CG C 36.52 0.30 1 815 . 85 GLU N N 122.88 0.30 1 816 . 86 CYS H H 8.46 0.03 1 817 . 86 CYS HA H 4.74 0.03 1 818 . 86 CYS HB2 H 2.20 0.03 1 819 . 86 CYS HB3 H 2.25 0.03 1 820 . 86 CYS CA C 57.24 0.30 1 821 . 86 CYS CB C 30.11 0.30 1 822 . 86 CYS N N 125.55 0.30 1 823 . 87 THR H H 8.13 0.03 1 824 . 87 THR HA H 5.31 0.03 1 825 . 87 THR HB H 4.35 0.03 1 826 . 87 THR HG2 H 1.21 0.03 1 827 . 87 THR CA C 60.67 0.30 1 828 . 87 THR CB C 71.67 0.30 1 829 . 87 THR CG2 C 21.79 0.30 1 830 . 87 THR N N 114.67 0.30 1 831 . 88 VAL H H 8.88 0.03 1 832 . 88 VAL HA H 4.05 0.03 1 833 . 88 VAL HB H 2.38 0.03 1 834 . 88 VAL HG1 H 1.20 0.03 1 835 . 88 VAL HG2 H 1.02 0.03 1 836 . 88 VAL CA C 67.69 0.30 1 837 . 88 VAL CB C 31.76 0.30 1 838 . 88 VAL CG1 C 23.64 0.30 1 839 . 88 VAL CG2 C 21.90 0.30 1 840 . 88 VAL N N 121.99 0.30 1 841 . 89 ALA H H 7.42 0.03 1 842 . 89 ALA HA H 4.06 0.03 1 843 . 89 ALA HB H 1.40 0.03 1 844 . 89 ALA CA C 55.99 0.30 1 845 . 89 ALA CB C 18.19 0.30 1 846 . 89 ALA N N 117.69 0.30 1 847 . 90 LYS H H 7.93 0.03 1 848 . 90 LYS HA H 4.11 0.03 1 849 . 90 LYS HB2 H 1.82 0.03 1 850 . 90 LYS HB3 H 2.06 0.03 1 851 . 90 LYS HG3 H 1.46 0.03 1 852 . 90 LYS HD3 H 1.80 0.03 1 853 . 90 LYS HE2 H 3.05 0.03 1 854 . 90 LYS HE3 H 3.09 0.03 1 855 . 90 LYS CA C 59.21 0.30 1 856 . 90 LYS CB C 32.60 0.30 1 857 . 90 LYS CG C 25.13 0.30 1 858 . 90 LYS CD C 28.87 0.30 1 859 . 90 LYS CE C 42.27 0.30 1 860 . 90 LYS N N 120.72 0.30 1 861 . 91 TYR H H 8.72 0.03 1 862 . 91 TYR HA H 4.38 0.03 1 863 . 91 TYR HB2 H 3.54 0.03 1 864 . 91 TYR HB3 H 3.65 0.03 1 865 . 91 TYR HD1 H 7.22 0.03 3 866 . 91 TYR HE1 H 6.82 0.03 3 867 . 91 TYR CA C 61.40 0.30 1 868 . 91 TYR CB C 39.31 0.30 1 869 . 91 TYR CD1 C 133.43 0.30 3 870 . 91 TYR CE1 C 118.09 0.30 3 871 . 91 TYR N N 120.28 0.30 1 872 . 92 PHE H H 8.77 0.03 1 873 . 92 PHE HA H 3.95 0.03 1 874 . 92 PHE HB2 H 3.07 0.03 1 875 . 92 PHE HB3 H 3.28 0.03 1 876 . 92 PHE HD1 H 7.72 0.03 3 877 . 92 PHE HE1 H 7.10 0.03 3 878 . 92 PHE HZ H 7.23 0.03 1 879 . 92 PHE CA C 63.21 0.30 1 880 . 92 PHE CB C 38.32 0.30 1 881 . 92 PHE N N 116.99 0.30 1 882 . 93 LEU H H 7.58 0.03 1 883 . 93 LEU HA H 4.09 0.03 1 884 . 93 LEU HB2 H 1.62 0.03 1 885 . 93 LEU HB3 H 2.02 0.03 1 886 . 93 LEU HG H 1.59 0.03 1 887 . 93 LEU HD1 H 0.89 0.03 1 888 . 93 LEU HD2 H 0.76 0.03 1 889 . 93 LEU CA C 58.03 0.30 1 890 . 93 LEU CB C 42.31 0.30 1 891 . 93 LEU CG C 26.88 0.30 1 892 . 93 LEU CD1 C 25.63 0.30 1 893 . 93 LEU CD2 C 23.39 0.30 1 894 . 93 LEU N N 122.16 0.30 1 895 . 94 ASP H H 8.73 0.03 1 896 . 94 ASP HA H 4.22 0.03 1 897 . 94 ASP HB2 H 2.53 0.03 1 898 . 94 ASP HB3 H 2.61 0.03 1 899 . 94 ASP CA C 57.04 0.30 1 900 . 94 ASP CB C 40.63 0.30 1 901 . 94 ASP N N 120.43 0.30 1 902 . 95 LYS H H 8.71 0.03 1 903 . 95 LYS HA H 3.91 0.03 1 904 . 95 LYS HB2 H 0.50 0.03 1 905 . 95 LYS HB3 H 0.81 0.03 1 906 . 95 LYS HG2 H 0.16 0.03 1 907 . 95 LYS HG3 H 0.33 0.03 1 908 . 95 LYS HD2 H 1.07 0.03 1 909 . 95 LYS HD3 H 1.28 0.03 1 910 . 95 LYS HE2 H 2.67 0.03 1 911 . 95 LYS HE3 H 2.78 0.03 1 912 . 95 LYS CA C 56.99 0.30 1 913 . 95 LYS CB C 32.10 0.30 1 914 . 95 LYS CG C 23.89 0.30 1 915 . 95 LYS CD C 28.37 0.30 1 916 . 95 LYS CE C 42.08 0.30 1 917 . 95 LYS N N 117.70 0.30 1 918 . 96 TYR H H 6.52 0.03 1 919 . 96 TYR HA H 4.73 0.03 1 920 . 96 TYR HB2 H 2.80 0.03 1 921 . 96 TYR HB3 H 3.45 0.03 1 922 . 96 TYR HD1 H 6.53 0.03 3 923 . 96 TYR HE1 H 6.40 0.03 3 924 . 96 TYR CA C 56.99 0.30 1 925 . 96 TYR CB C 38.82 0.30 1 926 . 96 TYR CD1 C 132.75 0.30 3 927 . 96 TYR CE1 C 118.08 0.30 3 928 . 96 TYR N N 112.56 0.30 1 929 . 97 ARG H H 7.34 0.03 1 930 . 97 ARG HA H 4.35 0.03 1 931 . 97 ARG HB3 H 2.05 0.03 1 932 . 97 ARG HG3 H 1.56 0.03 1 933 . 97 ARG HD3 H 3.18 0.03 1 934 . 97 ARG CA C 56.49 0.30 1 935 . 97 ARG CB C 26.59 0.30 1 936 . 97 ARG CG C 27.37 0.30 1 937 . 97 ARG CD C 43.08 0.30 1 938 . 97 ARG N N 116.28 0.30 1 939 . 98 MET H H 8.03 0.03 1 940 . 98 MET HA H 4.62 0.03 1 941 . 98 MET HB2 H 1.89 0.03 1 942 . 98 MET HB3 H 2.02 0.03 1 943 . 98 MET HG2 H 2.22 0.03 1 944 . 98 MET HG3 H 2.56 0.03 1 945 . 98 MET HE H 2.11 0.03 1 946 . 98 MET CA C 54.63 0.30 1 947 . 98 MET CB C 36.58 0.30 1 948 . 98 MET CG C 31.60 0.30 1 949 . 98 MET CE C 17.23 0.30 1 950 . 98 MET N N 118.60 0.30 1 951 . 99 LYS H H 8.73 0.03 1 952 . 99 LYS HA H 4.20 0.03 1 953 . 99 LYS HB2 H 1.58 0.03 1 954 . 99 LYS HB3 H 1.77 0.03 1 955 . 99 LYS HG2 H 1.25 0.03 1 956 . 99 LYS HG3 H 1.39 0.03 1 957 . 99 LYS HD3 H 1.66 0.03 1 958 . 99 LYS HE3 H 2.95 0.03 1 959 . 99 LYS CA C 55.00 0.30 1 960 . 99 LYS CB C 32.10 0.30 1 961 . 99 LYS CG C 25.13 0.30 1 962 . 99 LYS CD C 29.36 0.30 1 963 . 99 LYS CE C 41.81 0.30 1 964 . 99 LYS N N 128.05 0.30 1 965 . 100 LEU H H 7.73 0.03 1 966 . 100 LEU HA H 4.04 0.03 1 967 . 100 LEU HB2 H 1.33 0.03 1 968 . 100 LEU HB3 H 1.40 0.03 1 969 . 100 LEU HG H 2.06 0.03 1 970 . 100 LEU HD1 H 0.55 0.03 1 971 . 100 LEU HD2 H 0.41 0.03 1 972 . 100 LEU CA C 55.25 0.30 1 973 . 100 LEU CB C 40.07 0.30 1 974 . 100 LEU CG C 26.34 0.30 1 975 . 100 LEU CD1 C 26.13 0.30 1 976 . 100 LEU CD2 C 20.90 0.30 1 977 . 100 LEU N N 125.55 0.30 1 978 . 101 ARG H H 11.58 0.03 1 979 . 101 ARG HA H 3.88 0.03 1 980 . 101 ARG HB2 H 1.00 0.03 1 981 . 101 ARG HB3 H 1.27 0.03 1 982 . 101 ARG HG2 H 1.19 0.03 1 983 . 101 ARG HG3 H 1.38 0.03 1 984 . 101 ARG HD3 H 3.05 0.03 1 985 . 101 ARG CA C 57.56 0.30 1 986 . 101 ARG CB C 30.61 0.30 1 987 . 101 ARG CG C 27.62 0.30 1 988 . 101 ARG CD C 43.23 0.30 1 989 . 101 ARG N N 128.05 0.30 1 990 . 102 TYR H H 9.38 0.03 1 991 . 102 TYR HA H 5.10 0.03 1 992 . 102 TYR HB2 H 2.39 0.03 1 993 . 102 TYR HB3 H 3.06 0.03 1 994 . 102 TYR HD1 H 6.96 0.03 3 995 . 102 TYR HE1 H 6.71 0.03 3 996 . 102 TYR CA C 53.51 0.30 1 997 . 102 TYR CB C 37.33 0.30 1 998 . 102 TYR CD1 C 133.84 0.30 3 999 . 102 TYR CE1 C 117.56 0.30 3 1000 . 102 TYR N N 116.28 0.30 1 1001 . 103 PRO HA H 4.14 0.03 1 1002 . 103 PRO HB2 H 2.05 0.03 1 1003 . 103 PRO HB3 H 2.19 0.03 1 1004 . 103 PRO HG3 H 2.13 0.03 1 1005 . 103 PRO HD2 H 3.26 0.03 1 1006 . 103 PRO HD3 H 3.81 0.03 1 1007 . 103 PRO CA C 64.95 0.30 1 1008 . 103 PRO CB C 31.36 0.30 1 1009 . 103 PRO CG C 26.88 0.30 1 1010 . 103 PRO CD C 50.32 0.30 1 1011 . 104 HIS H H 8.78 0.03 1 1012 . 104 HIS HA H 4.59 0.03 1 1013 . 104 HIS HB3 H 2.91 0.03 1 1014 . 104 HIS HD2 H 6.58 0.03 1 1015 . 104 HIS HE1 H 8.06 0.03 1 1016 . 104 HIS CA C 56.64 0.30 1 1017 . 104 HIS CB C 30.36 0.30 1 1018 . 104 HIS N N 114.85 0.30 1 1019 . 105 LEU H H 6.93 0.03 1 1020 . 105 LEU HA H 4.66 0.03 1 1021 . 105 LEU HB2 H 1.24 0.03 1 1022 . 105 LEU HB3 H 1.85 0.03 1 1023 . 105 LEU HG H 1.60 0.03 1 1024 . 105 LEU HD1 H 0.80 0.03 1 1025 . 105 LEU HD2 H 0.55 0.03 1 1026 . 105 LEU CA C 52.51 0.30 1 1027 . 105 LEU CB C 39.07 0.30 1 1028 . 105 LEU CG C 27.42 0.30 1 1029 . 105 LEU CD1 C 28.69 0.30 1 1030 . 105 LEU CD2 C 26.13 0.30 1 1031 . 105 LEU N N 121.09 0.30 1 1032 . 106 PRO HA H 4.68 0.03 1 1033 . 106 PRO HB2 H 1.96 0.03 1 1034 . 106 PRO HB3 H 2.60 0.03 1 1035 . 106 PRO HG2 H 1.60 0.03 1 1036 . 106 PRO HG3 H 1.99 0.03 1 1037 . 106 PRO HD2 H 3.17 0.03 1 1038 . 106 PRO HD3 H 4.21 0.03 1 1039 . 106 PRO CA C 62.78 0.30 1 1040 . 106 PRO CB C 33.56 0.30 1 1041 . 106 PRO CG C 27.37 0.30 1 1042 . 106 PRO CD C 50.02 0.30 1 1043 . 107 CYS H H 7.99 0.03 1 1044 . 107 CYS HA H 4.98 0.03 1 1045 . 107 CYS HB2 H 2.53 0.03 1 1046 . 107 CYS HB3 H 2.83 0.03 1 1047 . 107 CYS CA C 56.40 0.30 1 1048 . 107 CYS CB C 29.86 0.30 1 1049 . 107 CYS N N 110.94 0.30 1 1050 . 108 LEU H H 9.46 0.03 1 1051 . 108 LEU HA H 4.83 0.03 1 1052 . 108 LEU HB2 H 1.21 0.03 1 1053 . 108 LEU HB3 H 1.76 0.03 1 1054 . 108 LEU HG H 1.05 0.03 1 1055 . 108 LEU HD1 H 0.81 0.03 1 1056 . 108 LEU HD2 H 0.47 0.03 1 1057 . 108 LEU CA C 53.75 0.30 1 1058 . 108 LEU CB C 41.81 0.30 1 1059 . 108 LEU CG C 26.35 0.30 1 1060 . 108 LEU CD1 C 24.00 0.30 1 1061 . 108 LEU CD2 C 22.73 0.30 1 1062 . 108 LEU N N 119.67 0.30 1 1063 . 109 GLN H H 8.71 0.03 1 1064 . 109 GLN HA H 4.85 0.03 1 1065 . 109 GLN HB2 H 1.53 0.03 1 1066 . 109 GLN HB3 H 1.82 0.03 1 1067 . 109 GLN HG3 H 1.82 0.03 1 1068 . 109 GLN CA C 54.75 0.30 1 1069 . 109 GLN CB C 30.11 0.30 1 1070 . 109 GLN CG C 34.10 0.30 1 1071 . 109 GLN N N 124.84 0.30 1 1072 . 110 VAL H H 8.32 0.03 1 1073 . 110 VAL HA H 5.12 0.03 1 1074 . 110 VAL HB H 2.09 0.03 1 1075 . 110 VAL HG1 H 0.52 0.03 1 1076 . 110 VAL HG2 H 0.03 0.03 1 1077 . 110 VAL CA C 58.93 0.30 1 1078 . 110 VAL CB C 34.84 0.30 1 1079 . 110 VAL CG1 C 21.15 0.30 1 1080 . 110 VAL CG2 C 17.92 0.30 1 1081 . 110 VAL N N 119.49 0.30 1 1082 . 111 GLY H H 8.62 0.03 1 1083 . 111 GLY HA2 H 4.00 0.03 1 1084 . 111 GLY HA3 H 4.35 0.03 1 1085 . 111 GLY CA C 45.04 0.30 1 1086 . 111 GLY N N 108.40 0.30 1 1087 . 112 GLN H H 8.18 0.03 1 1088 . 112 GLN HA H 4.28 0.03 1 1089 . 112 GLN HB2 H 1.79 0.03 1 1090 . 112 GLN HB3 H 2.08 0.03 1 1091 . 112 GLN HG3 H 2.40 0.03 1 1092 . 112 GLN CA C 55.74 0.30 1 1093 . 112 GLN CB C 29.99 0.30 1 1094 . 112 GLN CG C 34.05 0.30 1 1095 . 112 GLN N N 119.90 0.30 1 1096 . 115 LYS H H 7.58 0.03 1 1097 . 115 LYS HA H 4.17 0.03 1 1098 . 115 LYS HB2 H 1.58 0.03 1 1099 . 115 LYS HB3 H 1.74 0.03 1 1100 . 115 LYS HG2 H 1.05 0.03 1 1101 . 115 LYS HG3 H 1.15 0.03 1 1102 . 115 LYS HD3 H 1.60 0.03 1 1103 . 115 LYS HE3 H 2.94 0.03 1 1104 . 115 LYS CA C 55.99 0.30 1 1105 . 115 LYS CB C 32.35 0.30 1 1106 . 115 LYS CG C 24.64 0.30 1 1107 . 115 LYS CD C 28.87 0.30 1 1108 . 115 LYS CE C 42.06 0.30 1 1109 . 115 LYS N N 120.70 0.30 1 1110 . 116 HIS H H 8.06 0.03 1 1111 . 116 HIS HA H 4.44 0.03 1 1112 . 116 HIS HB2 H 2.88 0.03 1 1113 . 116 HIS HB3 H 2.99 0.03 1 1114 . 116 HIS HD2 H 6.92 0.03 1 1115 . 116 HIS HE1 H 6.75 0.03 1 1116 . 116 HIS CA C 55.99 0.30 1 1117 . 116 HIS CB C 30.11 0.30 1 1118 . 116 HIS N N 118.24 0.30 1 1119 . 117 THR H H 8.16 0.03 1 1120 . 117 THR HA H 3.94 0.03 1 1121 . 117 THR HB H 3.67 0.03 1 1122 . 117 THR HG2 H 0.78 0.03 1 1123 . 117 THR CA C 61.87 0.30 1 1124 . 117 THR CB C 69.18 0.30 1 1125 . 117 THR CG2 C 21.10 0.30 1 1126 . 117 THR N N 116.81 0.30 1 1127 . 118 TYR H H 7.87 0.03 1 1128 . 118 TYR HA H 5.21 0.03 1 1129 . 118 TYR HB2 H 2.57 0.03 1 1130 . 118 TYR HB3 H 2.52 0.03 1 1131 . 118 TYR HD1 H 6.62 0.03 3 1132 . 118 TYR HE1 H 6.74 0.03 3 1133 . 118 TYR CA C 55.58 0.30 1 1134 . 118 TYR CB C 41.46 0.30 1 1135 . 118 TYR CD1 C 132.51 0.30 3 1136 . 118 TYR CE1 C 118.04 0.30 3 1137 . 118 TYR N N 123.01 0.30 1 1138 . 119 LEU H H 8.99 0.03 1 1139 . 119 LEU HA H 5.01 0.03 1 1140 . 119 LEU HB2 H 0.90 0.03 1 1141 . 119 LEU HB3 H 1.40 0.03 1 1142 . 119 LEU HG H 1.25 0.03 1 1143 . 119 LEU HD1 H 0.57 0.03 1 1144 . 119 LEU HD2 H 0.92 0.03 1 1145 . 119 LEU CA C 50.05 0.30 1 1146 . 119 LEU CB C 45.04 0.30 1 1147 . 119 LEU CG C 26.38 0.30 1 1148 . 119 LEU CD1 C 27.54 0.30 1 1149 . 119 LEU CD2 C 23.65 0.30 1 1150 . 119 LEU N N 120.38 0.30 1 1151 . 120 PRO HA H 4.44 0.03 1 1152 . 120 PRO HB2 H 1.74 0.03 1 1153 . 120 PRO HB3 H 1.99 0.03 1 1154 . 120 PRO HG2 H 0.88 0.03 1 1155 . 120 PRO HG3 H 0.92 0.03 1 1156 . 120 PRO HD2 H 2.97 0.03 1 1157 . 120 PRO HD3 H 3.24 0.03 1 1158 . 120 PRO CA C 62.90 0.30 1 1159 . 120 PRO CB C 32.35 0.30 1 1160 . 120 PRO CG C 27.12 0.30 1 1161 . 120 PRO CD C 51.03 0.30 1 1162 . 121 LEU H H 6.99 0.03 1 1163 . 121 LEU HA H 3.69 0.03 1 1164 . 121 LEU HB2 H 1.21 0.03 1 1165 . 121 LEU HB3 H 1.82 0.03 1 1166 . 121 LEU HG H 2.17 0.03 1 1167 . 121 LEU HD1 H 0.81 0.03 1 1168 . 121 LEU HD2 H 0.80 0.03 1 1169 . 121 LEU CA C 58.98 0.30 1 1170 . 121 LEU CB C 41.06 0.30 1 1171 . 121 LEU CG C 25.41 0.30 1 1172 . 121 LEU CD1 C 28.69 0.30 1 1173 . 121 LEU CD2 C 22.67 0.30 1 1174 . 121 LEU N N 117.53 0.30 1 1175 . 122 GLU H H 9.92 0.03 1 1176 . 122 GLU HA H 4.55 0.03 1 1177 . 122 GLU HB2 H 2.23 0.03 1 1178 . 122 GLU HB3 H 2.58 0.03 1 1179 . 122 GLU CA C 57.68 0.30 1 1180 . 122 GLU CB C 29.91 0.30 1 1181 . 122 GLU N N 112.00 0.30 1 1182 . 123 VAL H H 6.90 0.03 1 1183 . 123 VAL HA H 4.78 0.03 1 1184 . 123 VAL HB H 2.98 0.03 1 1185 . 123 VAL HG1 H 0.58 0.03 1 1186 . 123 VAL HG2 H 0.78 0.03 1 1187 . 123 VAL CA C 60.47 0.30 1 1188 . 123 VAL CB C 29.96 0.30 1 1189 . 123 VAL CG1 C 21.95 0.30 1 1190 . 123 VAL CG2 C 18.91 0.30 1 1191 . 123 VAL N N 112.00 0.30 1 1192 . 124 CYS H H 7.50 0.03 1 1193 . 124 CYS HA H 5.54 0.03 1 1194 . 124 CYS HB2 H 2.30 0.03 1 1195 . 124 CYS HB3 H 2.94 0.03 1 1196 . 124 CYS CA C 57.53 0.30 1 1197 . 124 CYS CB C 31.26 0.30 1 1198 . 124 CYS N N 115.92 0.30 1 1199 . 125 ASN H H 9.13 0.03 1 1200 . 125 ASN HA H 5.30 0.03 1 1201 . 125 ASN HB3 H 2.54 0.03 1 1202 . 125 ASN CA C 51.33 0.30 1 1203 . 125 ASN CB C 41.20 0.30 1 1204 . 125 ASN N N 120.02 0.30 1 1205 . 126 ILE H H 9.03 0.03 1 1206 . 126 ILE HA H 3.94 0.03 1 1207 . 126 ILE HB H 2.15 0.03 1 1208 . 126 ILE HG12 H 1.18 0.03 1 1209 . 126 ILE HG13 H 1.38 0.03 1 1210 . 126 ILE HG2 H 0.71 0.03 1 1211 . 126 ILE HD1 H 0.18 0.03 1 1212 . 126 ILE CA C 60.72 0.30 1 1213 . 126 ILE CB C 37.77 0.30 1 1214 . 126 ILE CG1 C 26.63 0.30 1 1215 . 126 ILE CG2 C 16.92 0.30 1 1216 . 126 ILE CD1 C 10.53 0.30 1 1217 . 126 ILE N N 122.10 0.30 1 1218 . 127 VAL H H 7.17 0.03 1 1219 . 127 VAL HA H 3.85 0.03 1 1220 . 127 VAL HB H 1.76 0.03 1 1221 . 127 VAL HG1 H 0.78 0.03 1 1222 . 127 VAL HG2 H 1.01 0.03 1 1223 . 127 VAL CA C 62.47 0.30 1 1224 . 127 VAL CB C 32.35 0.30 1 1225 . 127 VAL CG1 C 22.69 0.30 1 1226 . 127 VAL CG2 C 21.15 0.30 1 1227 . 127 VAL N N 126.27 0.30 1 1228 . 128 ALA H H 8.74 0.03 1 1229 . 128 ALA HA H 4.20 0.03 1 1230 . 128 ALA HB H 1.39 0.03 1 1231 . 128 ALA CA C 53.05 0.30 1 1232 . 128 ALA CB C 19.91 0.30 1 1233 . 128 ALA N N 128.58 0.30 1 1234 . 129 GLY H H 8.86 0.03 1 1235 . 129 GLY HA2 H 3.31 0.03 1 1236 . 129 GLY HA3 H 3.92 0.03 1 1237 . 129 GLY CA C 46.04 0.30 1 1238 . 129 GLY N N 107.78 0.30 1 1239 . 130 GLN HA H 4.65 0.03 1 1240 . 130 GLN HB2 H 2.13 0.03 1 1241 . 130 GLN HB3 H 2.49 0.03 1 1242 . 130 GLN HG2 H 2.06 0.03 1 1243 . 130 GLN HG3 H 2.26 0.03 1 1244 . 130 GLN CA C 55.50 0.30 1 1245 . 130 GLN CB C 30.61 0.30 1 1246 . 130 GLN CG C 35.34 0.30 1 1247 . 131 ARG H H 8.84 0.03 1 1248 . 131 ARG HA H 4.18 0.03 1 1249 . 131 ARG HB3 H 1.70 0.03 1 1250 . 131 ARG HG2 H 1.37 0.03 1 1251 . 131 ARG HG3 H 1.60 0.03 1 1252 . 131 ARG HD3 H 3.05 0.03 1 1253 . 131 ARG CA C 56.49 0.30 1 1254 . 131 ARG CB C 31.04 0.30 1 1255 . 131 ARG CG C 27.62 0.30 1 1256 . 131 ARG CD C 43.30 0.30 1 1257 . 131 ARG N N 124.84 0.30 1 1258 . 132 CYS H H 8.19 0.03 1 1259 . 132 CYS HA H 4.32 0.03 1 1260 . 132 CYS HB2 H 2.11 0.03 1 1261 . 132 CYS HB3 H 2.38 0.03 1 1262 . 132 CYS CA C 58.00 0.30 1 1263 . 132 CYS CB C 27.12 0.30 1 1264 . 132 CYS N N 121.96 0.30 1 1265 . 133 ILE H H 8.30 0.03 1 1266 . 133 ILE HA H 4.18 0.03 1 1267 . 133 ILE HB H 1.88 0.03 1 1268 . 133 ILE HG12 H 1.17 0.03 1 1269 . 133 ILE HG13 H 1.43 0.03 1 1270 . 133 ILE HG2 H 0.88 0.03 1 1271 . 133 ILE HD1 H 0.84 0.03 1 1272 . 133 ILE CA C 60.94 0.30 1 1273 . 133 ILE CB C 38.69 0.30 1 1274 . 133 ILE CG1 C 27.12 0.30 1 1275 . 133 ILE CG2 C 17.66 0.30 1 1276 . 133 ILE CD1 C 12.94 0.30 1 1277 . 133 ILE N N 124.92 0.30 1 1278 . 134 LYS H H 8.27 0.03 1 1279 . 134 LYS HA H 4.30 0.03 1 1280 . 134 LYS HB2 H 1.72 0.03 1 1281 . 134 LYS HB3 H 1.80 0.03 1 1282 . 134 LYS HG3 H 1.39 0.03 1 1283 . 134 LYS HD3 H 1.66 0.03 1 1284 . 134 LYS HE2 H 2.97 0.03 1 1285 . 134 LYS CA C 55.99 0.30 1 1286 . 134 LYS CB C 33.10 0.30 1 1287 . 134 LYS CG C 24.90 0.30 1 1288 . 134 LYS CD C 29.12 0.30 1 1289 . 134 LYS N N 125.73 0.30 1 1290 . 135 LYS H H 8.41 0.03 1 1291 . 135 LYS HA H 4.30 0.03 1 1292 . 135 LYS HB2 H 1.74 0.03 1 1293 . 135 LYS HB3 H 1.71 0.03 1 1294 . 135 LYS HG3 H 1.40 0.03 1 1295 . 135 LYS HD3 H 1.66 0.03 1 1296 . 135 LYS HE2 H 2.96 0.03 1 1297 . 135 LYS HE3 H 3.08 0.03 1 1298 . 135 LYS CA C 55.74 0.30 1 1299 . 135 LYS CG C 24.89 0.30 1 1300 . 135 LYS CD C 29.12 0.30 1 1301 . 135 LYS N N 123.23 0.30 1 1302 . 136 LEU H H 8.38 0.03 1 1303 . 136 LEU HA H 4.37 0.03 1 1304 . 136 LEU HB2 H 1.59 0.03 1 1305 . 136 LEU HB3 H 1.68 0.03 1 1306 . 136 LEU HD1 H 0.90 0.03 1 1307 . 136 LEU HD2 H 0.86 0.03 1 1308 . 136 LEU CA C 55.50 0.30 1 1309 . 136 LEU CB C 42.31 0.30 1 1310 . 136 LEU CD1 C 25.13 0.30 1 1311 . 136 LEU CD2 C 23.46 0.30 1 1312 . 136 LEU N N 123.95 0.30 1 1313 . 137 THR HA H 4.27 0.03 1 1314 . 137 THR HB H 4.04 0.03 1 1315 . 137 THR HG2 H 1.02 0.03 1 1316 . 137 THR CA C 61.89 0.30 1 1317 . 137 THR CB C 69.86 0.30 1 1318 . 137 THR CG2 C 21.74 0.30 1 1319 . 138 ASP H H 8.29 0.03 1 1320 . 138 ASP HA H 4.59 0.03 1 1321 . 138 ASP HB2 H 2.63 0.03 1 1322 . 138 ASP HB3 H 2.73 0.03 1 1323 . 138 ASP CA C 54.59 0.30 1 1324 . 138 ASP CB C 41.08 0.30 1 1325 . 138 ASP N N 122.39 0.30 1 1326 . 139 MET H H 8.25 0.03 1 1327 . 139 MET HA H 4.43 0.03 1 1328 . 139 MET HB2 H 2.01 0.03 1 1329 . 139 MET HB3 H 2.09 0.03 1 1330 . 139 MET HG2 H 2.50 0.03 1 1331 . 139 MET HG3 H 2.51 0.03 1 1332 . 139 MET HE H 2.07 0.03 1 1333 . 139 MET CA C 55.74 0.30 1 1334 . 139 MET CB C 32.35 0.30 1 1335 . 139 MET CG C 32.11 0.30 1 1336 . 139 MET CE C 16.92 0.30 1 1337 . 139 MET N N 120.38 0.30 1 1338 . 140 GLN H H 8.39 0.03 1 1339 . 140 GLN HA H 4.35 0.03 1 1340 . 140 GLN HB3 H 2.04 0.03 1 1341 . 140 GLN HG3 H 2.36 0.03 1 1342 . 140 GLN CA C 56.24 0.30 1 1343 . 140 GLN CB C 29.36 0.30 1 1344 . 140 GLN CG C 33.97 0.30 1 1345 . 140 GLN N N 120.90 0.30 1 1346 . 141 THR H H 8.19 0.03 1 1347 . 141 THR HA H 4.31 0.03 1 1348 . 141 THR HB H 4.24 0.03 1 1349 . 141 THR HG2 H 1.19 0.03 1 1350 . 141 THR CA C 62.47 0.30 1 1351 . 141 THR CB C 69.68 0.30 1 1352 . 141 THR N N 114.90 0.30 1 1353 . 142 SER H H 8.38 0.03 1 1354 . 142 SER HA H 4.49 0.03 1 1355 . 142 SER HB2 H 3.87 0.03 1 1356 . 142 SER HB3 H 3.90 0.03 1 1357 . 142 SER CA C 58.68 0.30 1 1358 . 142 SER CB C 63.65 0.30 1 1359 . 142 SER N N 117.70 0.30 1 1360 . 143 THR H H 8.15 0.03 1 1361 . 143 THR HA H 4.29 0.03 1 1362 . 143 THR HG2 H 1.22 0.03 1 1363 . 143 THR N N 115.56 0.30 1 1364 . 144 MET H H 8.20 0.03 1 1365 . 144 MET HA H 4.45 0.03 1 1366 . 144 MET HB2 H 2.01 0.03 1 1367 . 144 MET HB3 H 2.09 0.03 1 1368 . 144 MET HG2 H 2.51 0.03 1 1369 . 144 MET HG3 H 2.52 0.03 1 1370 . 144 MET CA C 55.74 0.30 1 1371 . 144 MET CB C 32.85 0.30 1 1372 . 144 MET CG C 31.85 0.30 1 1373 . 144 MET N N 122.52 0.30 1 1374 . 145 ILE H H 8.11 0.03 1 1375 . 145 ILE HA H 4.10 0.03 1 1376 . 145 ILE HB H 1.87 0.03 1 1377 . 145 ILE HG12 H 1.17 0.03 1 1378 . 145 ILE HG2 H 0.88 0.03 1 1379 . 145 ILE CA C 61.47 0.30 1 1380 . 145 ILE CB C 38.82 0.30 1 1381 . 145 ILE CG1 C 27.62 0.30 1 1382 . 145 ILE CG2 C 17.67 0.30 1 1383 . 145 ILE N N 122.53 0.30 1 1384 . 147 ALA H H 8.35 0.03 1 1385 . 147 ALA HA H 4.20 0.03 1 1386 . 147 ALA HB H 1.39 0.03 1 1387 . 147 ALA CA C 52.51 0.30 1 1388 . 147 ALA CB C 19.41 0.30 1 1389 . 147 ALA N N 125.55 0.30 1 1390 . 148 THR H H 8.08 0.03 1 1391 . 148 THR HA H 4.32 0.03 1 1392 . 148 THR HB H 4.13 0.03 1 1393 . 148 THR HG2 H 1.19 0.03 1 1394 . 148 THR CA C 61.77 0.30 1 1395 . 148 THR CB C 69.61 0.30 1 1396 . 148 THR CG2 C 21.62 0.30 1 1397 . 148 THR N N 113.40 0.30 1 1398 . 149 ALA H H 8.28 0.03 1 1399 . 149 ALA HA H 4.33 0.03 1 1400 . 149 ALA HB H 1.39 0.03 1 1401 . 149 ALA CA C 52.51 0.30 1 1402 . 149 ALA CB C 19.42 0.30 1 1403 . 149 ALA N N 126.57 0.30 1 1404 . 150 ARG H H 8.32 0.03 1 1405 . 150 ARG HA H 4.34 0.03 1 1406 . 150 ARG N N 120.42 0.30 1 1407 . 151 SER H H 8.37 0.03 1 1408 . 151 SER HA H 4.42 0.03 1 1409 . 151 SER HB3 H 3.85 0.03 1 1410 . 151 SER CA C 58.06 0.30 1 1411 . 151 SER CB C 63.80 0.30 1 1412 . 151 SER N N 117.35 0.30 1 1413 . 152 ALA H H 8.36 0.03 1 1414 . 152 ALA HA H 4.59 0.03 1 1415 . 152 ALA HB H 1.37 0.03 1 1416 . 152 ALA CA C 50.94 0.30 1 1417 . 152 ALA CB C 18.37 0.30 1 1418 . 152 ALA N N 126.83 0.30 1 1419 . 153 PRO HA H 4.40 0.03 1 1420 . 153 PRO HB2 H 1.89 0.03 1 1421 . 153 PRO HB3 H 2.28 0.03 1 1422 . 153 PRO HG3 H 2.00 0.03 1 1423 . 153 PRO HD2 H 3.65 0.03 1 1424 . 153 PRO HD3 H 3.77 0.03 1 1425 . 153 PRO CA C 63.46 0.30 1 1426 . 153 PRO CB C 32.10 0.30 1 1427 . 153 PRO CG C 27.37 0.30 1 1428 . 153 PRO CD C 50.45 0.30 1 1429 . 154 ASP H H 8.36 0.03 1 1430 . 154 ASP HA H 4.52 0.03 1 1431 . 154 ASP HB2 H 2.61 0.03 1 1432 . 154 ASP HB3 H 2.67 0.03 1 1433 . 154 ASP CA C 54.50 0.30 1 1434 . 154 ASP CB C 41.04 0.30 1 1435 . 154 ASP N N 119.85 0.30 1 1436 . 155 ARG H H 8.22 0.03 1 1437 . 155 ARG HA H 4.27 0.03 1 1438 . 155 ARG HB3 H 1.79 0.03 1 1439 . 155 ARG HG3 H 1.60 0.03 1 1440 . 155 ARG HD3 H 3.18 0.03 1 1441 . 155 ARG CA C 56.74 0.30 1 1442 . 155 ARG CB C 30.36 0.30 1 1443 . 155 ARG CG C 27.08 0.30 1 1444 . 155 ARG CD C 43.15 0.30 1 1445 . 155 ARG N N 121.02 0.30 1 1446 . 156 GLU H H 8.37 0.03 1 1447 . 156 GLU HA H 4.18 0.03 1 1448 . 156 GLU N N 120.76 0.30 1 1449 . 157 ARG H H 8.12 0.03 1 1450 . 157 ARG HA H 4.25 0.03 1 1451 . 157 ARG N N 120.56 0.30 1 1452 . 158 GLU H H 8.25 0.03 1 1453 . 158 GLU HA H 4.25 0.03 1 1454 . 158 GLU N N 121.28 0.30 1 1455 . 159 ILE H H 8.13 0.03 1 1456 . 159 ILE HA H 4.10 0.03 1 1457 . 159 ILE HB H 1.88 0.03 1 1458 . 159 ILE HG13 H 1.17 0.03 1 1459 . 159 ILE HG2 H 0.88 0.03 1 1460 . 159 ILE CA C 61.72 0.30 1 1461 . 159 ILE CB C 38.32 0.30 1 1462 . 159 ILE CG1 C 27.37 0.30 1 1463 . 159 ILE CG2 C 17.42 0.30 1 1464 . 159 ILE N N 121.28 0.30 1 1465 . 160 ASN H H 8.39 0.03 1 1466 . 160 ASN HA H 4.70 0.03 1 1467 . 160 ASN N N 121.53 0.30 1 1468 . 161 ASN H H 8.32 0.03 1 1469 . 161 ASN HA H 4.68 0.03 1 1470 . 161 ASN HB2 H 2.76 0.03 1 1471 . 161 ASN HB3 H 2.82 0.03 1 1472 . 161 ASN CA C 53.37 0.30 1 1473 . 161 ASN CB C 38.69 0.30 1 1474 . 161 ASN N N 119.12 0.30 1 1475 . 162 LEU H H 8.10 0.03 1 1476 . 162 LEU HA H 4.29 0.03 1 1477 . 162 LEU HB2 H 1.58 0.03 1 1478 . 162 LEU HB3 H 1.66 0.03 1 1479 . 162 LEU HD1 H 0.86 0.03 1 1480 . 162 LEU CA C 55.25 0.30 1 1481 . 162 LEU CB C 42.06 0.30 1 1482 . 162 LEU CD1 C 23.39 0.30 1 1483 . 162 LEU N N 121.80 0.30 1 1484 . 163 VAL H H 7.94 0.03 1 1485 . 163 VAL HA H 4.02 0.03 1 1486 . 163 VAL HB H 2.02 0.03 1 1487 . 163 VAL HG1 H 0.91 0.03 1 1488 . 163 VAL CA C 62.37 0.30 1 1489 . 163 VAL CB C 32.60 0.30 1 1490 . 163 VAL CG1 C 20.90 0.30 1 1491 . 163 VAL N N 120.56 0.30 1 1492 . 164 LYS H H 8.30 0.03 1 1493 . 164 LYS HA H 4.29 0.03 1 1494 . 164 LYS N N 125.38 0.30 1 1495 . 165 ARG H H 8.36 0.03 1 1496 . 165 ARG HA H 4.30 0.03 1 1497 . 165 ARG N N 123.25 0.30 1 1498 . 166 ALA H H 8.40 0.03 1 1499 . 166 ALA HA H 4.26 0.03 1 1500 . 166 ALA HB H 1.31 0.03 1 1501 . 166 ALA CA C 52.26 0.30 1 1502 . 166 ALA CB C 19.31 0.30 1 1503 . 166 ALA N N 125.45 0.30 1 1504 . 167 ASP H H 8.20 0.03 1 1505 . 167 ASP HA H 4.49 0.03 1 1506 . 167 ASP HB3 H 2.58 0.03 1 1507 . 167 ASP CA C 54.12 0.30 1 1508 . 167 ASP CB C 41.56 0.30 1 1509 . 167 ASP N N 118.75 0.30 1 1510 . 168 PHE H H 7.99 0.03 1 1511 . 168 PHE HA H 4.63 0.03 1 1512 . 168 PHE HB2 H 2.99 0.03 1 1513 . 168 PHE HB3 H 3.19 0.03 1 1514 . 168 PHE N N 119.69 0.30 1 1515 . 169 ASN H H 7.95 0.03 1 1516 . 169 ASN HA H 4.44 0.03 1 1517 . 169 ASN N N 125.33 0.30 1 stop_ save_