data_4751 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H and 15N resonances of mouse lysozyme ; _BMRB_accession_number 4751 _BMRB_flat_file_name bmr4751.str _Entry_type original _Submission_date 2000-06-05 _Accession_date 2000-06-05 _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 Obita Takayuki . . 2 Ueda Tadashi . . 3 Tanaka Yoshitsugu . . 4 Hashimoto Yoshio . . 5 Imoto Taiji . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 601 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-12-18 original BMRB . stop_ _Original_release_date 2000-06-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignment of 1H and 15N resonances of mouse lysozyme M ; _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 Obita Takayuki . . 2 Ueda Tadashi . . 3 Tanaka Yoshitsugu . . 4 Hashimoto Yoshio . . 5 Imoto Taiji . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 18 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 361 _Page_last 362 _Year 2000 _Details . loop_ _Keyword NMR assignment lysozyme stop_ save_ ################################## # Molecular system description # ################################## save_system_M-Lyz _Saveframe_category molecular_system _Mol_system_name 'mouse lysozyme' _Abbreviation_common M-Lyz _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'mouse lysozyme' $M-Lyz stop_ _System_molecular_weight 14820 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_M-Lyz _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'mouse lysozyme' _Abbreviation_common M-Lyz _Molecular_mass 14820 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; KVYERCEFARTLKRNGMAGY YGVSLADWVCLAQHESNYNT RATNYNRGDQSTDYGIFQIN SRYWCNDGKTPRAVNACGIN CSALLQDDITAAIQCAKRVV RDPQGIRAWVAWRAHCQNRD LSQYIRNCGV ; loop_ _Residue_seq_code _Residue_label 1 LYS 2 VAL 3 TYR 4 GLU 5 ARG 6 CYS 7 GLU 8 PHE 9 ALA 10 ARG 11 THR 12 LEU 13 LYS 14 ARG 15 ASN 16 GLY 17 MET 18 ALA 19 GLY 20 TYR 21 TYR 22 GLY 23 VAL 24 SER 25 LEU 26 ALA 27 ASP 28 TRP 29 VAL 30 CYS 31 LEU 32 ALA 33 GLN 34 HIS 35 GLU 36 SER 37 ASN 38 TYR 39 ASN 40 THR 41 ARG 42 ALA 43 THR 44 ASN 45 TYR 46 ASN 47 ARG 48 GLY 49 ASP 50 GLN 51 SER 52 THR 53 ASP 54 TYR 55 GLY 56 ILE 57 PHE 58 GLN 59 ILE 60 ASN 61 SER 62 ARG 63 TYR 64 TRP 65 CYS 66 ASN 67 ASP 68 GLY 69 LYS 70 THR 71 PRO 72 ARG 73 ALA 74 VAL 75 ASN 76 ALA 77 CYS 78 GLY 79 ILE 80 ASN 81 CYS 82 SER 83 ALA 84 LEU 85 LEU 86 GLN 87 ASP 88 ASP 89 ILE 90 THR 91 ALA 92 ALA 93 ILE 94 GLN 95 CYS 96 ALA 97 LYS 98 ARG 99 VAL 100 VAL 101 ARG 102 ASP 103 PRO 104 GLN 105 GLY 106 ILE 107 ARG 108 ALA 109 TRP 110 VAL 111 ALA 112 TRP 113 ARG 114 ALA 115 HIS 116 CYS 117 GLN 118 ASN 119 ARG 120 ASP 121 LEU 122 SER 123 GLN 124 TYR 125 ILE 126 ARG 127 ASN 128 CYS 129 GLY 130 VAL stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 1IVM 'Solution Structure Of Mouse Lysozyme M' 99.23 130 100.00 100.00 2.35e-70 DBJ BAE28595 'unnamed protein product [Mus musculus]' 100.00 148 100.00 100.00 8.15e-72 DBJ BAE30022 'unnamed protein product [Mus musculus]' 100.00 159 100.00 100.00 3.07e-72 DBJ BAE31835 'unnamed protein product [Mus musculus]' 100.00 159 100.00 100.00 3.07e-72 DBJ BAE32025 'unnamed protein product [Mus musculus]' 100.00 148 100.00 100.00 8.15e-72 DBJ BAE34954 'unnamed protein product [Mus musculus]' 100.00 163 100.00 100.00 1.86e-72 GenBank AAA39473 'lysozyme M' 100.00 148 100.00 100.00 8.15e-72 GenBank AAH02069 'Lysozyme 2 [Mus musculus]' 100.00 148 100.00 100.00 8.15e-72 GenBank AAH54463 'Lysozyme 2 [Mus musculus]' 100.00 148 100.00 100.00 8.15e-72 GenBank EDL21835 'mCG3049 [Mus musculus]' 100.00 148 100.00 100.00 8.15e-72 REF NP_059068 'lysozyme 2 [Mus musculus]' 100.00 148 100.00 100.00 8.15e-72 SWISS-PROT P08905 'Lysozyme C type M precursor (1,4-beta-N-acetylmuramidase C)' 100.00 148 100.00 100.00 8.15e-72 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $M-Lyz 'House mouse' 10090 Eukaryota Metazoa Mus musculus 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 $M-Lyz 'recombinant technology' yeast Pichia pastoris . . 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 $M-Lyz 1.0 mM [U-15N] stop_ save_ ############################# # Purity of the molecules # ############################# save_mol_purity_list _Saveframe_category sample_mol_purity _Sample_label $sample_1 loop_ _Mol_label _Mol_purity_value _Mol_purity_value_units _Mol_purity_measurement_method $M-Lyz 95 % 'SDS gel electrophoresis' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMR-PIPE _Version . loop_ _Task 'raw spectral data transformations' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_15N-edited_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY' _Sample_label . save_ save_15N-edited_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY' _Sample_label . save_ save_1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '1H NOESY' _Sample_label . save_ save_1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H TOCSY' _Sample_label . save_ save_1H_COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H COSY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.8 0.05 n/a temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 stop_ loop_ _Experiment_label '1H-15N HSQC' '15N-edited NOESY' '15N-edited TOCSY' '1H NOESY' '1H TOCSY' '1H COSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'mouse lysozyme' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 LYS HA H 3.99 0.02 1 2 . 2 VAL H H 8.87 0.02 1 3 . 2 VAL HA H 4.94 0.02 1 4 . 2 VAL HB H 1.98 0.02 1 5 . 2 VAL HG1 H 1.17 0.02 2 6 . 2 VAL HG2 H 0.94 0.02 2 7 . 2 VAL N N 127.4 0.1 1 8 . 3 TYR H H 9.06 0.02 1 9 . 3 TYR HA H 4.10 0.02 1 10 . 3 TYR HB2 H 2.83 0.02 1 11 . 3 TYR HB3 H 2.83 0.02 1 12 . 3 TYR HD1 H 7.02 0.02 1 13 . 3 TYR HD2 H 7.02 0.02 1 14 . 3 TYR HE1 H 6.68 0.02 1 15 . 3 TYR HE2 H 6.68 0.02 1 16 . 3 TYR N N 128.8 0.1 1 17 . 4 GLU H H 8.42 0.02 1 18 . 4 GLU HA H 4.09 0.02 1 19 . 4 GLU HB2 H 2.00 0.02 2 20 . 4 GLU HB3 H 2.36 0.02 2 21 . 4 GLU HG2 H 2.59 0.02 1 22 . 4 GLU HG3 H 2.59 0.02 1 23 . 4 GLU N N 122.2 0.1 1 24 . 5 ARG H H 8.35 0.02 1 25 . 5 ARG HA H 3.27 0.02 1 26 . 5 ARG HB2 H 1.99 0.02 1 27 . 5 ARG HB3 H 1.99 0.02 1 28 . 5 ARG HG2 H 1.44 0.02 2 29 . 5 ARG HG3 H 1.79 0.02 2 30 . 5 ARG N N 126.5 0.1 1 31 . 6 CYS H H 8.85 0.02 1 32 . 6 CYS HA H 4.88 0.02 1 33 . 6 CYS HB2 H 3.35 0.02 2 34 . 6 CYS HB3 H 2.96 0.02 2 35 . 6 CYS N N 114.7 0.1 1 36 . 7 GLU H H 8.21 0.02 1 37 . 7 GLU HA H 4.15 0.02 1 38 . 7 GLU HB2 H 2.60 0.02 2 39 . 7 GLU HB3 H 2.28 0.02 2 40 . 7 GLU N N 125.7 0.1 1 41 . 8 PHE H H 9.19 0.02 1 42 . 8 PHE HA H 3.96 0.02 1 43 . 8 PHE HB2 H 3.35 0.02 2 44 . 8 PHE HB3 H 2.93 0.02 2 45 . 8 PHE HD1 H 6.87 0.02 1 46 . 8 PHE HD2 H 6.87 0.02 1 47 . 8 PHE HE1 H 7.16 0.02 1 48 . 8 PHE HE2 H 7.16 0.02 1 49 . 8 PHE HZ H 7.39 0.02 1 50 . 8 PHE N N 121.9 0.1 1 51 . 9 ALA H H 8.77 0.02 1 52 . 9 ALA HA H 3.66 0.02 1 53 . 9 ALA HB H 1.64 0.02 1 54 . 9 ALA N N 121.8 0.1 1 55 . 10 ARG H H 8.80 0.02 1 56 . 10 ARG HA H 3.86 0.02 1 57 . 10 ARG HB2 H 2.00 0.02 2 58 . 10 ARG HB3 H 1.89 0.02 2 59 . 10 ARG HG2 H 1.62 0.02 1 60 . 10 ARG HG3 H 1.62 0.02 1 61 . 10 ARG N N 115.8 0.1 1 62 . 11 THR H H 7.99 0.02 1 63 . 11 THR HA H 3.86 0.02 1 64 . 11 THR HB H 4.19 0.02 1 65 . 11 THR HG2 H 1.08 0.02 1 66 . 11 THR N N 118.1 0.1 1 67 . 12 LEU H H 8.21 0.02 1 68 . 12 LEU HA H 3.43 0.02 1 69 . 12 LEU HB2 H 1.78 0.02 1 70 . 12 LEU HB3 H 1.78 0.02 1 71 . 12 LEU HD1 H 0.29 0.02 1 72 . 12 LEU HD2 H 0.29 0.02 1 73 . 12 LEU N N 122.0 0.1 1 74 . 13 LYS H H 8.26 0.02 1 75 . 13 LYS HA H 4.00 0.02 1 76 . 13 LYS HB2 H 2.17 0.02 2 77 . 13 LYS HB3 H 1.85 0.02 2 78 . 13 LYS N N 121.1 0.1 1 79 . 14 ARG H H 7.92 0.02 1 80 . 14 ARG HA H 4.31 0.02 1 81 . 14 ARG HB2 H 1.80 0.02 2 82 . 14 ARG HB3 H 1.97 0.02 2 83 . 14 ARG N N 118.1 0.1 1 84 . 15 ASN H H 7.22 0.02 1 85 . 15 ASN HA H 4.83 0.02 1 86 . 15 ASN HB2 H 3.03 0.02 2 87 . 15 ASN HB3 H 2.32 0.02 2 88 . 15 ASN N N 115.5 0.1 1 89 . 16 GLY H H 7.64 0.02 1 90 . 16 GLY HA2 H 4.18 0.02 2 91 . 16 GLY HA3 H 3.93 0.02 2 92 . 16 GLY N N 106.4 0.1 1 93 . 17 MET H H 7.10 0.02 1 94 . 17 MET HA H 4.17 0.02 1 95 . 17 MET N N 113.3 0.1 1 96 . 18 ALA H H 8.88 0.02 1 97 . 18 ALA HA H 4.18 0.02 1 98 . 18 ALA HB H 1.58 0.02 1 99 . 18 ALA N N 123.0 0.1 1 100 . 19 GLY H H 8.73 0.02 1 101 . 19 GLY HA2 H 4.18 0.02 2 102 . 19 GLY HA3 H 3.37 0.02 2 103 . 19 GLY N N 117.8 0.1 1 104 . 20 TYR H H 7.75 0.02 1 105 . 20 TYR HA H 4.20 0.02 1 106 . 20 TYR HB2 H 3.25 0.02 2 107 . 20 TYR HB3 H 3.46 0.02 2 108 . 20 TYR HD1 H 7.26 0.02 1 109 . 20 TYR HD2 H 7.26 0.02 1 110 . 20 TYR HE1 H 6.99 0.02 1 111 . 20 TYR HE2 H 6.99 0.02 1 112 . 20 TYR N N 125.0 0.1 1 113 . 21 TYR H H 9.22 0.02 1 114 . 21 TYR HA H 3.45 0.02 1 115 . 21 TYR HB2 H 3.24 0.02 2 116 . 21 TYR HB3 H 2.56 0.02 2 117 . 21 TYR HD1 H 6.42 0.02 1 118 . 21 TYR HD2 H 6.42 0.02 1 119 . 21 TYR HE1 H 6.68 0.02 1 120 . 21 TYR HE2 H 6.68 0.02 1 121 . 21 TYR N N 129.2 0.1 1 122 . 22 GLY H H 7.68 0.02 1 123 . 22 GLY HA2 H 4.09 0.02 2 124 . 22 GLY HA3 H 3.51 0.02 2 125 . 22 GLY N N 101.5 0.1 1 126 . 23 VAL H H 7.88 0.02 1 127 . 23 VAL HA H 3.71 0.02 1 128 . 23 VAL HB H 2.20 0.02 1 129 . 23 VAL HG1 H 0.60 0.02 2 130 . 23 VAL HG2 H -0.39 0.02 2 131 . 23 VAL N N 124.8 0.1 1 132 . 24 SER H H 8.29 0.02 1 133 . 24 SER HA H 4.50 0.02 1 134 . 24 SER HB2 H 3.40 0.02 1 135 . 24 SER HB3 H 3.40 0.02 1 136 . 24 SER N N 123.2 0.1 1 137 . 25 LEU H H 9.37 0.02 1 138 . 25 LEU HA H 4.33 0.02 1 139 . 25 LEU HB2 H 1.90 0.02 2 140 . 25 LEU HB3 H 1.57 0.02 2 141 . 25 LEU HG H 1.72 0.02 1 142 . 25 LEU HD1 H 1.00 0.02 1 143 . 25 LEU HD2 H 1.00 0.02 1 144 . 25 LEU N N 120.5 0.1 1 145 . 26 ALA H H 8.66 0.02 1 146 . 26 ALA HA H 3.91 0.02 1 147 . 26 ALA HB H 1.59 0.02 1 148 . 26 ALA N N 117.8 0.1 1 149 . 27 ASP H H 8.03 0.02 1 150 . 27 ASP HA H 4.29 0.02 1 151 . 27 ASP HB2 H 3.25 0.02 2 152 . 27 ASP HB3 H 2.09 0.02 2 153 . 27 ASP N N 118.3 0.1 1 154 . 28 TRP H H 7.69 0.02 1 155 . 28 TRP HA H 4.45 0.02 1 156 . 28 TRP HB2 H 3.45 0.02 2 157 . 28 TRP HB3 H 3.20 0.02 2 158 . 28 TRP HD1 H 6.93 0.02 1 159 . 28 TRP HE1 H 9.44 0.02 1 160 . 28 TRP HE3 H 7.07 0.02 1 161 . 28 TRP HZ2 H 6.17 0.02 1 162 . 28 TRP HZ3 H 6.86 0.02 1 163 . 28 TRP HH2 H 7.23 0.02 1 164 . 28 TRP N N 117.2 0.1 1 165 . 29 VAL H H 8.31 0.02 1 166 . 29 VAL HA H 4.05 0.02 1 167 . 29 VAL HB H 2.17 0.02 1 168 . 29 VAL HG1 H 1.20 0.02 2 169 . 29 VAL HG2 H 1.67 0.02 2 170 . 29 VAL N N 118.7 0.1 1 171 . 30 CYS H H 8.40 0.02 1 172 . 30 CYS HA H 2.98 0.02 1 173 . 30 CYS HB2 H 3.23 0.02 1 174 . 30 CYS HB3 H 3.23 0.02 1 175 . 30 CYS N N 118.7 0.1 1 176 . 31 LEU H H 8.59 0.02 1 177 . 31 LEU HA H 3.90 0.02 1 178 . 31 LEU HB2 H 2.31 0.02 2 179 . 31 LEU HB3 H 1.67 0.02 2 180 . 31 LEU HG H 1.02 0.02 1 181 . 31 LEU HD1 H 0.50 0.02 2 182 . 31 LEU HD2 H 0.05 0.02 2 183 . 31 LEU N N 121.0 0.1 1 184 . 32 ALA H H 8.32 0.02 1 185 . 32 ALA HA H 3.82 0.02 1 186 . 32 ALA HB H 1.01 0.02 1 187 . 32 ALA N N 120.2 0.1 1 188 . 33 GLN H H 8.56 0.02 1 189 . 33 GLN HA H 2.39 0.02 1 190 . 33 GLN HB2 H 1.67 0.02 2 191 . 33 GLN HB3 H 1.01 0.02 2 192 . 33 GLN N N 117.8 0.1 1 193 . 34 HIS H H 7.40 0.02 1 194 . 34 HIS HA H 4.17 0.02 1 195 . 34 HIS HB2 H 3.13 0.02 2 196 . 34 HIS HB3 H 2.76 0.02 2 197 . 34 HIS N N 111.4 0.1 1 198 . 35 GLU H H 8.45 0.02 1 199 . 35 GLU HA H 4.47 0.02 1 200 . 35 GLU HB2 H 1.89 0.02 2 201 . 35 GLU HB3 H 2.05 0.02 2 202 . 35 GLU HG2 H 1.67 0.02 2 203 . 35 GLU HG3 H 2.56 0.02 2 204 . 35 GLU N N 117.4 0.1 1 205 . 36 SER H H 8.08 0.02 1 206 . 36 SER HA H 4.53 0.02 1 207 . 36 SER HB2 H 3.47 0.02 1 208 . 36 SER HB3 H 3.47 0.02 1 209 . 36 SER N N 108.6 0.1 1 210 . 37 ASN H H 7.97 0.02 1 211 . 37 ASN HA H 4.25 0.02 1 212 . 37 ASN HB2 H 3.20 0.02 2 213 . 37 ASN HB3 H 2.56 0.02 2 214 . 37 ASN N N 123.9 0.1 1 215 . 38 TYR H H 6.83 0.02 1 216 . 38 TYR HA H 3.53 0.02 1 217 . 38 TYR HB2 H 3.10 0.02 2 218 . 38 TYR HB3 H 3.03 0.02 2 219 . 38 TYR HD1 H 6.23 0.02 1 220 . 38 TYR HD2 H 6.23 0.02 1 221 . 38 TYR HE1 H 6.72 0.02 1 222 . 38 TYR HE2 H 6.72 0.02 1 223 . 38 TYR N N 104.6 0.1 1 224 . 39 ASN H H 7.14 0.02 1 225 . 39 ASN HA H 5.35 0.02 1 226 . 39 ASN HB2 H 2.77 0.02 2 227 . 39 ASN HB3 H 3.40 0.02 2 228 . 39 ASN N N 117.7 0.1 1 229 . 40 THR H H 9.10 0.02 1 230 . 40 THR HA H 4.01 0.02 1 231 . 40 THR HB H 4.51 0.02 1 232 . 40 THR HG2 H 1.66 0.02 1 233 . 40 THR N N 115.5 0.1 1 234 . 41 ARG H H 7.67 0.02 1 235 . 41 ARG HA H 4.51 0.02 1 236 . 41 ARG HB2 H 2.11 0.02 2 237 . 41 ARG HB3 H 1.73 0.02 2 238 . 41 ARG N N 114.5 0.1 1 239 . 42 ALA H H 6.86 0.02 1 240 . 42 ALA HA H 4.18 0.02 1 241 . 42 ALA HB H 1.33 0.02 1 242 . 42 ALA N N 122.4 0.1 1 243 . 43 THR H H 8.18 0.02 1 244 . 43 THR HA H 5.24 0.02 1 245 . 43 THR HB H 3.79 0.02 1 246 . 43 THR HG2 H 1.16 0.02 1 247 . 43 THR N N 112.9 0.1 1 248 . 44 ASN H H 8.11 0.02 1 249 . 44 ASN HA H 5.04 0.02 1 250 . 44 ASN HB2 H 2.71 0.02 2 251 . 44 ASN HB3 H 2.80 0.02 2 252 . 44 ASN N N 119.0 0.1 1 253 . 45 TYR H H 8.90 0.02 1 254 . 45 TYR HA H 4.86 0.02 1 255 . 45 TYR HB2 H 2.80 0.02 2 256 . 45 TYR HB3 H 3.00 0.02 2 257 . 45 TYR HD1 H 7.12 0.02 1 258 . 45 TYR HD2 H 7.12 0.02 1 259 . 45 TYR HE1 H 6.56 0.02 1 260 . 45 TYR HE2 H 6.56 0.02 1 261 . 45 TYR N N 127.4 0.1 1 262 . 46 ASN H H 8.94 0.02 1 263 . 46 ASN HA H 4.73 0.02 1 264 . 46 ASN HB2 H 2.78 0.02 2 265 . 46 ASN HB3 H 2.70 0.02 2 266 . 46 ASN N N 127.8 0.1 1 267 . 47 ARG H H 8.47 0.02 1 268 . 47 ARG HA H 3.69 0.02 1 269 . 47 ARG HB2 H 1.81 0.02 2 270 . 47 ARG HB3 H 1.90 0.02 2 271 . 47 ARG N N 122.6 0.1 1 272 . 48 GLY H H 8.64 0.02 1 273 . 48 GLY HA2 H 3.87 0.02 2 274 . 48 GLY HA3 H 3.81 0.02 2 275 . 48 GLY N N 106.0 0.1 1 276 . 49 ASP H H 7.15 0.02 1 277 . 49 ASP HA H 4.73 0.02 1 278 . 49 ASP HB2 H 2.96 0.02 2 279 . 49 ASP HB3 H 2.43 0.02 2 280 . 49 ASP N N 116.6 0.1 1 281 . 50 GLN H H 7.82 0.02 1 282 . 50 GLN HA H 3.83 0.02 1 283 . 50 GLN HB2 H 2.48 0.02 2 284 . 50 GLN HB3 H 2.25 0.02 2 285 . 50 GLN N N 112.6 0.1 1 286 . 51 SER H H 7.96 0.02 1 287 . 51 SER HA H 4.72 0.02 1 288 . 51 SER HB2 H 3.57 0.02 1 289 . 51 SER HB3 H 3.57 0.02 1 290 . 51 SER N N 113.4 0.1 1 291 . 52 THR H H 9.15 0.02 1 292 . 52 THR HA H 5.10 0.02 1 293 . 52 THR HB H 3.84 0.02 1 294 . 52 THR HG2 H 0.39 0.02 1 295 . 52 THR N N 116.4 0.1 1 296 . 53 ASP H H 8.93 0.02 1 297 . 53 ASP HA H 5.24 0.02 1 298 . 53 ASP HB2 H 2.05 0.02 2 299 . 53 ASP HB3 H 2.69 0.02 2 300 . 53 ASP N N 124.6 0.1 1 301 . 54 TYR H H 9.20 0.02 1 302 . 54 TYR HA H 4.82 0.02 1 303 . 54 TYR HB2 H 3.02 0.02 2 304 . 54 TYR HB3 H 2.71 0.02 2 305 . 54 TYR HD1 H 7.12 0.02 1 306 . 54 TYR HD2 H 7.12 0.02 1 307 . 54 TYR HE1 H 6.86 0.02 1 308 . 54 TYR HE2 H 6.86 0.02 1 309 . 54 TYR N N 118.3 0.1 1 310 . 55 GLY H H 9.15 0.02 1 311 . 55 GLY HA2 H 4.60 0.02 1 312 . 55 GLY HA3 H 4.60 0.02 1 313 . 55 GLY N N 112.1 0.1 1 314 . 56 ILE H H 9.18 0.02 1 315 . 56 ILE HA H 4.02 0.02 1 316 . 56 ILE HB H 1.20 0.02 1 317 . 56 ILE N N 123.0 0.1 1 318 . 57 PHE H H 8.56 0.02 1 319 . 57 PHE HA H 4.58 0.02 1 320 . 57 PHE HB2 H 3.52 0.02 2 321 . 57 PHE HB3 H 2.88 0.02 2 322 . 57 PHE HD1 H 6.94 0.02 1 323 . 57 PHE HD2 H 6.94 0.02 1 324 . 57 PHE HE1 H 6.84 0.02 1 325 . 57 PHE HE2 H 6.84 0.02 1 326 . 57 PHE HZ H 6.68 0.02 1 327 . 57 PHE N N 115.6 0.1 1 328 . 58 GLN H H 7.88 0.02 1 329 . 58 GLN HA H 3.49 0.02 1 330 . 58 GLN HB2 H 2.45 0.02 2 331 . 58 GLN HB3 H 1.95 0.02 2 332 . 58 GLN N N 113.8 0.1 1 333 . 59 ILE H H 7.85 0.02 1 334 . 59 ILE HA H 4.35 0.02 1 335 . 59 ILE HB H 1.92 0.02 1 336 . 59 ILE HG12 H 1.28 0.02 1 337 . 59 ILE HG13 H 1.28 0.02 1 338 . 59 ILE HG2 H 1.09 0.02 1 339 . 59 ILE HD1 H 0.97 0.02 1 340 . 59 ILE N N 121.9 0.1 1 341 . 60 ASN H H 8.53 0.02 1 342 . 60 ASN HA H 5.69 0.02 1 343 . 60 ASN HB2 H 3.39 0.02 2 344 . 60 ASN HB3 H 2.99 0.02 2 345 . 60 ASN N N 127.9 0.1 1 346 . 61 SER H H 9.26 0.02 1 347 . 61 SER HA H 5.17 0.02 1 348 . 61 SER HB2 H 4.47 0.02 1 349 . 61 SER HB3 H 4.47 0.02 1 350 . 61 SER N N 120.2 0.1 1 351 . 62 ARG H H 8.70 0.02 1 352 . 62 ARG HA H 4.21 0.02 1 353 . 62 ARG HB2 H 1.42 0.02 2 354 . 62 ARG HB3 H 1.12 0.02 2 355 . 62 ARG N N 123.0 0.1 1 356 . 63 TYR H H 7.10 0.02 1 357 . 63 TYR HA H 4.41 0.02 1 358 . 63 TYR HB2 H 1.79 0.02 2 359 . 63 TYR HB3 H 1.55 0.02 2 360 . 63 TYR HD1 H 6.70 0.02 1 361 . 63 TYR HD2 H 6.70 0.02 1 362 . 63 TYR HE1 H 6.64 0.02 1 363 . 63 TYR HE2 H 6.64 0.02 1 364 . 63 TYR N N 113.5 0.1 1 365 . 64 TRP H H 7.37 0.02 1 366 . 64 TRP HA H 5.14 0.02 1 367 . 64 TRP HB2 H 3.33 0.02 2 368 . 64 TRP HB3 H 3.39 0.02 2 369 . 64 TRP HD1 H 7.62 0.02 1 370 . 64 TRP HE1 H 10.27 0.02 1 371 . 64 TRP HE3 H 7.63 0.02 1 372 . 64 TRP HZ2 H 6.69 0.02 1 373 . 64 TRP HZ3 H 7.13 0.02 1 374 . 64 TRP HH2 H 7.25 0.02 1 375 . 64 TRP N N 114.2 0.1 1 376 . 65 CYS H H 7.48 0.02 1 377 . 65 CYS HA H 5.68 0.02 1 378 . 65 CYS HB2 H 2.90 0.02 2 379 . 65 CYS HB3 H 2.55 0.02 2 380 . 65 CYS N N 110.7 0.1 1 381 . 66 ASN H H 8.63 0.02 1 382 . 66 ASN HA H 5.69 0.02 1 383 . 66 ASN HB2 H 2.91 0.02 2 384 . 66 ASN HB3 H 2.54 0.02 2 385 . 66 ASN N N 118.6 0.1 1 386 . 67 ASP H H 10.28 0.02 1 387 . 67 ASP HA H 4.91 0.02 1 388 . 67 ASP HB2 H 3.27 0.02 2 389 . 67 ASP HB3 H 2.26 0.02 2 390 . 67 ASP N N 130.3 0.1 1 391 . 68 GLY H H 8.12 0.02 1 392 . 68 GLY HA2 H 3.86 0.02 2 393 . 68 GLY HA3 H 4.12 0.02 2 394 . 68 GLY N N 108.1 0.1 1 395 . 69 LYS H H 8.10 0.02 1 396 . 69 LYS HA H 4.76 0.02 1 397 . 69 LYS HB2 H 1.37 0.02 2 398 . 69 LYS HB3 H 1.28 0.02 2 399 . 69 LYS N N 117.5 0.1 1 400 . 70 THR H H 8.34 0.02 1 401 . 70 THR HA H 4.82 0.02 1 402 . 70 THR HB H 4.14 0.02 1 403 . 70 THR HG2 H 1.12 0.02 1 404 . 70 THR N N 121.1 0.1 1 405 . 71 PRO HA H 4.71 0.02 1 406 . 72 ARG H H 8.80 0.02 1 407 . 72 ARG HA H 3.82 0.02 1 408 . 72 ARG HB2 H 1.90 0.02 2 409 . 72 ARG HB3 H 1.55 0.02 2 410 . 72 ARG N N 115.3 0.1 1 411 . 73 ALA H H 7.36 0.02 1 412 . 73 ALA HA H 4.76 0.02 1 413 . 73 ALA HB H 1.57 0.02 1 414 . 73 ALA N N 120.5 0.1 1 415 . 74 VAL H H 7.93 0.02 1 416 . 74 VAL HA H 3.98 0.02 1 417 . 74 VAL HB H 1.99 0.02 1 418 . 74 VAL HG1 H 0.95 0.02 2 419 . 74 VAL HG2 H 0.81 0.02 2 420 . 74 VAL N N 118.6 0.1 1 421 . 75 ASN H H 8.59 0.02 1 422 . 75 ASN HA H 4.03 0.02 1 423 . 75 ASN HB2 H 3.07 0.02 2 424 . 75 ASN HB3 H 2.24 0.02 2 425 . 75 ASN N N 119.1 0.1 1 426 . 76 ALA H H 8.38 0.02 1 427 . 76 ALA HA H 4.21 0.02 1 428 . 76 ALA HB H 1.54 0.02 1 429 . 76 ALA N N 121.3 0.1 1 430 . 77 CYS H H 9.40 0.02 1 431 . 77 CYS HA H 4.45 0.02 1 432 . 77 CYS HB2 H 3.51 0.02 2 433 . 77 CYS HB3 H 3.68 0.02 2 434 . 77 CYS N N 111.1 0.1 1 435 . 78 GLY H H 7.68 0.02 1 436 . 78 GLY HA2 H 3.66 0.02 2 437 . 78 GLY HA3 H 3.76 0.02 2 438 . 78 GLY N N 111.3 0.1 1 439 . 79 ILE H H 8.25 0.02 1 440 . 79 ILE HA H 4.75 0.02 1 441 . 79 ILE HB H 1.78 0.02 1 442 . 79 ILE HG12 H 1.34 0.02 1 443 . 79 ILE HG13 H 1.34 0.02 1 444 . 79 ILE HG2 H 1.02 0.02 1 445 . 79 ILE HD1 H 0.85 0.02 1 446 . 79 ILE N N 113.9 0.1 1 447 . 80 ASN H H 8.67 0.02 1 448 . 80 ASN HA H 5.40 0.02 1 449 . 80 ASN HB2 H 2.70 0.02 2 450 . 80 ASN HB3 H 2.87 0.02 2 451 . 80 ASN N N 122.0 0.1 1 452 . 81 CYS H H 8.74 0.02 1 453 . 81 CYS HA H 3.89 0.02 1 454 . 81 CYS N N 123.8 0.1 1 455 . 82 SER H H 8.80 0.02 1 456 . 82 SER HA H 3.89 0.02 1 457 . 82 SER N N 114.5 0.1 1 458 . 83 ALA H H 7.91 0.02 1 459 . 83 ALA HA H 4.34 0.02 1 460 . 83 ALA HB H 1.54 0.02 1 461 . 83 ALA N N 125.9 0.1 1 462 . 84 LEU H H 8.02 0.02 1 463 . 84 LEU HA H 4.40 0.02 1 464 . 84 LEU HB2 H 2.27 0.02 2 465 . 84 LEU HB3 H 1.66 0.02 2 466 . 84 LEU N N 115.5 0.1 1 467 . 85 LEU H H 7.22 0.02 1 468 . 85 LEU HA H 5.63 0.02 1 469 . 85 LEU HB2 H 1.79 0.02 2 470 . 85 LEU HB3 H 1.72 0.02 2 471 . 85 LEU N N 117.7 0.1 1 472 . 86 GLN H H 6.85 0.02 1 473 . 86 GLN HA H 4.43 0.02 1 474 . 86 GLN HB2 H 2.14 0.02 2 475 . 86 GLN HB3 H 2.53 0.02 2 476 . 86 GLN HG2 H 2.72 0.02 1 477 . 86 GLN HG3 H 2.72 0.02 1 478 . 86 GLN N N 117.0 0.1 1 479 . 87 ASP H H 8.76 0.02 1 480 . 87 ASP HA H 4.22 0.02 1 481 . 87 ASP HB2 H 2.75 0.02 2 482 . 87 ASP HB3 H 2.55 0.02 2 483 . 87 ASP N N 120.6 0.1 1 484 . 88 ASP H H 7.82 0.02 1 485 . 88 ASP HA H 4.71 0.02 1 486 . 88 ASP HB2 H 2.90 0.02 2 487 . 88 ASP HB3 H 2.72 0.02 2 488 . 88 ASP N N 118.7 0.1 1 489 . 89 ILE H H 8.02 0.02 1 490 . 89 ILE HA H 4.72 0.02 1 491 . 89 ILE HB H 2.26 0.02 1 492 . 89 ILE HG12 H 1.34 0.02 1 493 . 89 ILE HG13 H 1.34 0.02 1 494 . 89 ILE HG2 H 1.08 0.02 1 495 . 89 ILE HD1 H 0.50 0.02 1 496 . 89 ILE N N 117.3 0.1 1 497 . 90 THR H H 8.62 0.02 1 498 . 90 THR HA H 3.56 0.02 1 499 . 90 THR HB H 4.12 0.02 1 500 . 90 THR HG2 H 1.17 0.02 1 501 . 90 THR N N 121.0 0.1 1 502 . 91 ALA H H 8.93 0.02 1 503 . 91 ALA HA H 4.16 0.02 1 504 . 91 ALA HB H 1.38 0.02 1 505 . 91 ALA N N 123.1 0.1 1 506 . 92 ALA H H 7.75 0.02 1 507 . 92 ALA HA H 3.98 0.02 1 508 . 92 ALA HB H 1.69 0.02 1 509 . 92 ALA N N 121.4 0.1 1 510 . 93 ILE H H 8.66 0.02 1 511 . 93 ILE HA H 3.20 0.02 1 512 . 93 ILE HB H 2.05 0.02 1 513 . 93 ILE HG12 H 1.84 0.02 1 514 . 93 ILE HG13 H 1.70 0.02 1 515 . 93 ILE HG2 H 0.72 0.02 1 516 . 93 ILE HD1 H 0.59 0.02 1 517 . 93 ILE N N 118.6 0.1 1 518 . 94 GLN H H 7.98 0.02 1 519 . 94 GLN HA H 3.83 0.02 1 520 . 94 GLN HB2 H 2.49 0.02 2 521 . 94 GLN HB3 H 2.24 0.02 2 522 . 94 GLN N N 116.9 0.1 1 523 . 95 CYS H H 8.13 0.02 1 524 . 95 CYS HA H 5.00 0.02 1 525 . 95 CYS HB2 H 2.60 0.02 2 526 . 95 CYS HB3 H 3.34 0.02 2 527 . 95 CYS N N 116.5 0.1 1 528 . 96 ALA H H 8.74 0.02 1 529 . 96 ALA HA H 3.69 0.02 1 530 . 96 ALA HB H 0.63 0.02 1 531 . 96 ALA N N 124.1 0.1 1 532 . 97 LYS H H 7.75 0.02 1 533 . 97 LYS HA H 3.62 0.02 1 534 . 97 LYS HB2 H 1.69 0.02 2 535 . 97 LYS HB3 H 1.42 0.02 2 536 . 97 LYS HG2 H 1.25 0.02 1 537 . 97 LYS HG3 H 1.25 0.02 1 538 . 97 LYS N N 113.8 0.1 1 539 . 98 ARG H H 6.93 0.02 1 540 . 98 ARG HA H 3.89 0.02 1 541 . 98 ARG HB2 H 2.58 0.02 2 542 . 98 ARG HB3 H 1.98 0.02 2 543 . 98 ARG N N 117.3 0.1 1 544 . 99 VAL H H 8.05 0.02 1 545 . 99 VAL HA H 2.52 0.02 1 546 . 99 VAL HB H 1.83 0.02 1 547 . 99 VAL HG1 H -0.40 0.02 2 548 . 99 VAL HG2 H -0.63 0.02 2 549 . 99 VAL N N 121.8 0.1 1 550 . 100 VAL H H 7.47 0.02 1 551 . 100 VAL HA H 3.80 0.02 1 552 . 100 VAL HB H 2.48 0.02 1 553 . 100 VAL HG1 H 1.33 0.02 2 554 . 100 VAL HG2 H 1.14 0.02 2 555 . 100 VAL N N 110.5 0.1 1 556 . 101 ARG H H 7.06 0.02 1 557 . 101 ARG HA H 3.94 0.02 1 558 . 101 ARG HB2 H 1.79 0.02 2 559 . 101 ARG HB3 H 2.05 0.02 2 560 . 101 ARG HG2 H 1.61 0.02 1 561 . 101 ARG HG3 H 1.61 0.02 1 562 . 101 ARG N N 117.1 0.1 1 563 . 102 ASP H H 7.39 0.02 1 564 . 102 ASP HA H 4.97 0.02 1 565 . 102 ASP HB2 H 2.99 0.02 2 566 . 102 ASP HB3 H 3.10 0.02 2 567 . 102 ASP N N 122.1 0.1 1 568 . 103 PRO HA H 4.24 0.02 1 569 . 104 GLN H H 8.50 0.02 1 570 . 104 GLN HA H 4.16 0.02 1 571 . 104 GLN HB2 H 1.89 0.02 2 572 . 104 GLN HB3 H 2.01 0.02 2 573 . 104 GLN HG2 H 2.40 0.02 1 574 . 104 GLN HG3 H 2.40 0.02 1 575 . 104 GLN N N 113.6 0.1 1 576 . 105 GLY H H 8.08 0.02 1 577 . 105 GLY HA2 H 4.05 0.02 2 578 . 105 GLY HA3 H 3.96 0.02 2 579 . 105 GLY N N 108.3 0.1 1 580 . 106 ILE H H 8.69 0.02 1 581 . 106 ILE HA H 3.97 0.02 1 582 . 106 ILE HB H 1.00 0.02 1 583 . 106 ILE HG12 H 0.83 0.02 1 584 . 106 ILE HG13 H 0.20 0.02 1 585 . 106 ILE HG2 H -0.51 0.02 1 586 . 106 ILE HD1 H -0.24 0.02 1 587 . 106 ILE N N 126.2 0.1 1 588 . 107 ARG H H 7.29 0.02 1 589 . 107 ARG HA H 4.15 0.02 1 590 . 107 ARG HB2 H 2.10 0.02 2 591 . 107 ARG HB3 H 1.83 0.02 2 592 . 107 ARG N N 116.5 0.1 1 593 . 108 ALA H H 7.30 0.02 1 594 . 108 ALA HA H 3.90 0.02 1 595 . 108 ALA HB H 0.98 0.02 1 596 . 108 ALA N N 120.0 0.1 1 597 . 109 TRP H H 7.63 0.02 1 598 . 109 TRP HA H 4.88 0.02 1 599 . 109 TRP HB2 H 3.27 0.02 2 600 . 109 TRP HB3 H 3.35 0.02 2 601 . 109 TRP HD1 H 7.34 0.02 1 602 . 109 TRP HE1 H 9.88 0.02 1 603 . 109 TRP HE3 H 7.89 0.02 1 604 . 109 TRP HZ2 H 6.63 0.02 1 605 . 109 TRP HZ3 H 6.89 0.02 1 606 . 109 TRP HH2 H 6.96 0.02 1 607 . 109 TRP N N 116.1 0.1 1 608 . 110 VAL H H 8.92 0.02 1 609 . 110 VAL HA H 3.76 0.02 1 610 . 110 VAL HB H 2.26 0.02 1 611 . 110 VAL HG1 H 1.07 0.02 2 612 . 110 VAL HG2 H 1.17 0.02 2 613 . 110 VAL N N 127.8 0.1 1 614 . 111 ALA H H 8.62 0.02 1 615 . 111 ALA HA H 4.40 0.02 1 616 . 111 ALA HB H 1.50 0.02 1 617 . 111 ALA N N 118.9 0.1 1 618 . 112 TRP H H 7.62 0.02 1 619 . 112 TRP HA H 3.82 0.02 1 620 . 112 TRP HB2 H 3.13 0.02 2 621 . 112 TRP HB3 H 3.32 0.02 2 622 . 112 TRP HD1 H 6.84 0.02 1 623 . 112 TRP HE1 H 10.73 0.02 1 624 . 112 TRP N N 115.7 0.1 1 625 . 113 ARG H H 7.78 0.02 1 626 . 113 ARG HA H 3.79 0.02 1 627 . 113 ARG HB2 H 2.20 0.02 1 628 . 113 ARG HB3 H 1.97 0.02 1 629 . 113 ARG HG2 H 1.81 0.02 1 630 . 113 ARG HG3 H 1.81 0.02 1 631 . 113 ARG N N 119.9 0.1 1 632 . 114 ALA H H 7.95 0.02 1 633 . 114 ALA HA H 4.00 0.02 1 634 . 114 ALA HB H 1.03 0.02 1 635 . 114 ALA N N 116.3 0.1 1 636 . 115 HIS H H 7.35 0.02 1 637 . 115 HIS HA H 4.67 0.02 1 638 . 115 HIS HB2 H 2.35 0.02 2 639 . 115 HIS HB3 H 2.10 0.02 2 640 . 115 HIS N N 108.6 0.1 1 641 . 116 CYS H H 7.63 0.02 1 642 . 116 CYS HA H 4.63 0.02 1 643 . 116 CYS HB2 H 1.84 0.02 2 644 . 116 CYS HB3 H 2.67 0.02 2 645 . 116 CYS N N 114.9 0.1 1 646 . 117 GLN H H 6.65 0.02 1 647 . 117 GLN HA H 3.32 0.02 1 648 . 117 GLN HB2 H 1.53 0.02 2 649 . 117 GLN HB3 H 0.72 0.02 2 650 . 117 GLN HG2 H 2.13 0.02 1 651 . 117 GLN HG3 H 2.13 0.02 1 652 . 117 GLN N N 119.7 0.1 1 653 . 118 ASN H H 9.09 0.02 1 654 . 118 ASN HA H 4.43 0.02 1 655 . 118 ASN HB2 H 2.84 0.02 2 656 . 118 ASN HB3 H 3.07 0.02 2 657 . 118 ASN N N 120.5 0.1 1 658 . 119 ARG H H 7.36 0.02 1 659 . 119 ARG HA H 4.56 0.02 1 660 . 119 ARG HB2 H 1.80 0.02 2 661 . 119 ARG HB3 H 1.57 0.02 2 662 . 119 ARG HG2 H 1.39 0.02 1 663 . 119 ARG HG3 H 1.39 0.02 1 664 . 119 ARG N N 115.1 0.1 1 665 . 120 ASP H H 8.47 0.02 1 666 . 120 ASP HA H 4.61 0.02 1 667 . 120 ASP HB2 H 2.93 0.02 2 668 . 120 ASP HB3 H 2.78 0.02 2 669 . 120 ASP N N 118.8 0.1 1 670 . 121 LEU H H 9.01 0.02 1 671 . 121 LEU HA H 4.89 0.02 1 672 . 121 LEU HB2 H 1.93 0.02 2 673 . 121 LEU HB3 H 1.86 0.02 2 674 . 121 LEU N N 128.3 0.1 1 675 . 122 SER H H 8.66 0.02 1 676 . 122 SER HA H 4.08 0.02 1 677 . 122 SER HB2 H 1.59 0.02 1 678 . 122 SER HB3 H 1.59 0.02 1 679 . 122 SER N N 117.9 0.1 1 680 . 123 GLN H H 9.00 0.02 1 681 . 123 GLN HA H 4.01 0.02 1 682 . 123 GLN HB2 H 1.98 0.02 2 683 . 123 GLN HB3 H 1.89 0.02 2 684 . 123 GLN HG2 H 1.59 0.02 1 685 . 123 GLN HG3 H 1.59 0.02 1 686 . 123 GLN N N 119.1 0.1 1 687 . 124 TYR H H 8.16 0.02 1 688 . 124 TYR HA H 4.15 0.02 1 689 . 124 TYR HB2 H 3.21 0.02 2 690 . 124 TYR HB3 H 3.14 0.02 2 691 . 124 TYR HD1 H 7.32 0.02 1 692 . 124 TYR HD2 H 7.32 0.02 1 693 . 124 TYR HE1 H 6.88 0.02 1 694 . 124 TYR HE2 H 6.88 0.02 1 695 . 124 TYR N N 116.3 0.1 1 696 . 125 ILE H H 7.06 0.02 1 697 . 125 ILE HA H 4.77 0.02 1 698 . 125 ILE HB H 2.18 0.02 1 699 . 125 ILE HG12 H 1.47 0.02 1 700 . 125 ILE HG13 H 1.12 0.02 1 701 . 125 ILE HG2 H 1.00 0.02 1 702 . 125 ILE HD1 H 0.83 0.02 1 703 . 125 ILE N N 105.2 0.1 1 704 . 126 ARG H H 7.23 0.02 1 705 . 126 ARG HA H 4.16 0.02 1 706 . 126 ARG HB2 H 1.70 0.02 2 707 . 126 ARG HB3 H 1.87 0.02 2 708 . 126 ARG N N 124.9 0.1 1 709 . 127 ASN H H 9.36 0.02 1 710 . 127 ASN HA H 4.59 0.02 1 711 . 127 ASN HB2 H 3.05 0.02 2 712 . 127 ASN HB3 H 3.19 0.02 2 713 . 127 ASN N N 117.9 0.1 1 714 . 128 CYS H H 7.75 0.02 1 715 . 128 CYS HA H 4.98 0.02 1 716 . 128 CYS HB2 H 2.72 0.02 2 717 . 128 CYS HB3 H 3.25 0.02 2 718 . 128 CYS N N 112.7 0.1 1 719 . 129 GLY H H 8.89 0.02 1 720 . 129 GLY HA2 H 3.90 0.02 1 721 . 129 GLY HA3 H 3.98 0.02 1 722 . 129 GLY N N 111.5 0.1 1 723 . 130 VAL H H 7.47 0.02 1 724 . 130 VAL HA H 4.26 0.02 1 725 . 130 VAL HB H 2.26 0.02 1 726 . 130 VAL HG1 H 0.84 0.02 2 727 . 130 VAL HG2 H 0.78 0.02 2 728 . 130 VAL N N 116.1 0.1 1 stop_ save_