data_5009 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H,13C and 15N backbone resonances of p13suc1 proteins -- PA90 ; _BMRB_accession_number 5009 _BMRB_flat_file_name bmr5009.str _Entry_type original _Submission_date 2001-05-09 _Accession_date 2001-05-09 _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 Odaert Benoit . . 2 Landrieu Isabelle . . 3 Dijkstra Klaas . . 4 Schuurman-wolters Gea . . 5 Casteels Peter . . 6 Wieruszeski Jean-Michel . . 7 Scheek Ruud M. . 8 Lippens Guy . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 710 "13C chemical shifts" 524 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-08-22 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5008 'wild type' stop_ _Original_release_date 2002-08-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignment of the 1H, 13C and 15N resonances and secondary structure of the monomeric p13suc1 protein of Saccharomyces pombe ; _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 Odaert Benoit . . 2 Landrieu Isabelle . . 3 Dijkstra Klaas . . 4 Schuurman-Wolters Gea . . 5 Casteels Peter . . 6 Wieruszeski Jean-Michel . . 7 Scheek Ruud M. . 8 Lippens Guy . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 23 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 155 _Page_last 156 _Year 2002 _Details . loop_ _Keyword 'Cell division' 'domain swapping' 'protein folding' p13suc1 'NMR spectroscopy' stop_ save_ ################################## # Molecular system description # ################################## save_system_suc1 _Saveframe_category molecular_system _Mol_system_name p13suc1 _Abbreviation_common suc1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'p13 P90A mutant' $P13PA90 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_P13PA90 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common suc1 _Name_variant 'p13suc1 P90A mutant' _Abbreviation_common suc1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; MSKSGVPRLLTASERERLEP FIDQIHYSPRYADDEYEYRH VMLPKAMLKAIPTDYFNPET GTLRILQEEEWRGLGITQSL GWEMYEVHVAEPHILLFKRE KDYQMKFSQQRGG ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 LYS 4 SER 5 GLY 6 VAL 7 PRO 8 ARG 9 LEU 10 LEU 11 THR 12 ALA 13 SER 14 GLU 15 ARG 16 GLU 17 ARG 18 LEU 19 GLU 20 PRO 21 PHE 22 ILE 23 ASP 24 GLN 25 ILE 26 HIS 27 TYR 28 SER 29 PRO 30 ARG 31 TYR 32 ALA 33 ASP 34 ASP 35 GLU 36 TYR 37 GLU 38 TYR 39 ARG 40 HIS 41 VAL 42 MET 43 LEU 44 PRO 45 LYS 46 ALA 47 MET 48 LEU 49 LYS 50 ALA 51 ILE 52 PRO 53 THR 54 ASP 55 TYR 56 PHE 57 ASN 58 PRO 59 GLU 60 THR 61 GLY 62 THR 63 LEU 64 ARG 65 ILE 66 LEU 67 GLN 68 GLU 69 GLU 70 GLU 71 TRP 72 ARG 73 GLY 74 LEU 75 GLY 76 ILE 77 THR 78 GLN 79 SER 80 LEU 81 GLY 82 TRP 83 GLU 84 MET 85 TYR 86 GLU 87 VAL 88 HIS 89 VAL 90 ALA 91 GLU 92 PRO 93 HIS 94 ILE 95 LEU 96 LEU 97 PHE 98 LYS 99 ARG 100 GLU 101 LYS 102 ASP 103 TYR 104 GLN 105 MET 106 LYS 107 PHE 108 SER 109 GLN 110 GLN 111 ARG 112 GLY 113 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-07-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 5008 P13WT 100.00 113 99.12 99.12 4.42e-76 PDB 1PUC "P13suc1 In A Strand-Exchanged Dimer" 92.92 105 99.05 99.05 1.44e-69 PDB 1SCE "Crystal Structure Of The Cell Cycle Regulatory Protein Suc1 Reveals A Novel Beta-Hinge Conformational Switch" 100.00 112 98.23 98.23 2.74e-73 EMBL CAA21308 "cyclin-dependent protein kinase regulatory subunit Suc1 [Schizosaccharomyces pombe]" 100.00 113 99.12 99.12 4.42e-76 GB AAA35346 "cell division protein [Schizosaccharomyces pombe]" 100.00 113 99.12 99.12 4.42e-76 REF NP_595431 "cyclin-dependent protein kinase regulatory subunit Suc1 [Schizosaccharomyces pombe 972h-]" 100.00 113 99.12 99.12 4.42e-76 SP P08463 "RecName: Full=Cyclin-dependent kinases regulatory subunit; AltName: Full=P13 [Schizosaccharomyces pombe 972h-]" 100.00 113 99.12 99.12 4.42e-76 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $P13PA90 'fission yeast' 4896 Eukaryota Fungi Schizosaccharomyces pombe 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 $P13PA90 'recombinat technology' 'E. coli' Escherichia coli BL21(DE3) pRK172 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $P13PA90 . mM 1.0 2.0 [U-15N] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $P13PA90 . mM 1.0 2.0 '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_SNARF _Saveframe_category software _Name SNARF _Version v0.8.9 _Details 'Frans van Hoesel.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA/HNcaCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA/HNcaCO _Sample_label . save_ save_HNCO/HNcaCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO/HNcaCO _Sample_label . save_ save_CBCANH/CBCAcoNH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH/CBCAcoNH _Sample_label . save_ save_CONCOCAH_4 _Saveframe_category NMR_applied_experiment _Experiment_name CONCOCAH _Sample_label . save_ save_15N_NOESY/TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY/TOCSY' _Sample_label . save_ save_13C_NOESY/_HCCH_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY/ HCCH TOCSY' _Sample_label . save_ save_15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label . save_ save_13C_HSQC_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC aromatic' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA/HNcaCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO/HNcaCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH/CBCAcoNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name CONCOCAH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY/TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY/ HCCH TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HSQC aromatic' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.1 na temperature 293 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'p13 P90A mutant' _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 SER HA H 4.128 . . 2 . 2 SER HB2 H 4.008 . . 3 . 2 SER HB3 H 4.008 . . 4 . 2 SER CA C 57.816 . . 5 . 2 SER CB C 64.036 . . 6 . 3 LYS H H 8.075 . . 7 . 3 LYS HA H 4.478 . . 8 . 3 LYS HB2 H 1.939 . . 9 . 3 LYS HB3 H 1.856 . . 10 . 3 LYS HG2 H 1.528 . . 11 . 3 LYS HG3 H 1.528 . . 12 . 3 LYS HD2 H 1.762 . . 13 . 3 LYS HD3 H 1.762 . . 14 . 3 LYS HE2 H 3.069 . . 15 . 3 LYS HE3 H 3.069 . . 16 . 3 LYS C C 176.620 . . 17 . 3 LYS CA C 56.735 . . 18 . 3 LYS CB C 33.069 . . 19 . 3 LYS CG C 24.854 . . 20 . 3 LYS CD C 29.244 . . 21 . 3 LYS CE C 42.235 . . 22 . 3 LYS N N 122.096 . . 23 . 4 SER H H 8.520 . . 24 . 4 SER HA H 4.510 . . 25 . 4 SER HB2 H 3.921 . . 26 . 4 SER HB3 H 3.921 . . 27 . 4 SER C C 174.855 . . 28 . 4 SER CA C 58.778 . . 29 . 4 SER CB C 63.938 . . 30 . 4 SER N N 117.070 . . 31 . 5 GLY H H 8.390 . . 32 . 5 GLY HA2 H 4.008 . . 33 . 5 GLY HA3 H 4.008 . . 34 . 5 GLY C C 173.600 . . 35 . 5 GLY CA C 45.237 . . 36 . 5 GLY N N 110.710 . . 37 . 6 VAL H H 8.090 . . 38 . 6 VAL HA H 4.481 . . 39 . 6 VAL HB H 2.122 . . 40 . 6 VAL HG1 H 1.013 . . 41 . 6 VAL HG2 H 0.955 . . 42 . 6 VAL C C 174.706 . . 43 . 6 VAL CA C 59.843 . . 44 . 6 VAL CB C 32.368 . . 45 . 6 VAL CG1 C 21.176 . . 46 . 6 VAL CG2 C 20.080 . . 47 . 6 VAL N N 120.440 . . 48 . 7 PRO HA H 4.247 . . 49 . 7 PRO HB2 H 1.938 . . 50 . 7 PRO HB3 H 1.680 . . 51 . 7 PRO HG2 H 2.014 . . 52 . 7 PRO HG3 H 1.956 . . 53 . 7 PRO HD2 H 3.894 . . 54 . 7 PRO HD3 H 3.791 . . 55 . 7 PRO C C 174.715 . . 56 . 7 PRO CA C 62.862 . . 57 . 7 PRO CB C 33.074 . . 58 . 7 PRO CG C 27.160 . . 59 . 7 PRO CD C 50.795 . . 60 . 7 PRO N N 139.511 . . 61 . 8 ARG H H 9.830 . . 62 . 8 ARG HA H 4.507 . . 63 . 8 ARG HB2 H 2.155 . . 64 . 8 ARG HB3 H 1.630 . . 65 . 8 ARG HG2 H 1.806 . . 66 . 8 ARG HG3 H 1.720 . . 67 . 8 ARG HD2 H 3.115 . . 68 . 8 ARG HD3 H 2.982 . . 69 . 8 ARG C C 175.186 . . 70 . 8 ARG CA C 55.708 . . 71 . 8 ARG CB C 30.568 . . 72 . 8 ARG CG C 28.170 . . 73 . 8 ARG CD C 42.333 . . 74 . 8 ARG N N 127.330 . . 75 . 9 LEU H H 8.620 . . 76 . 9 LEU HA H 4.582 . . 77 . 9 LEU HB2 H 1.674 . . 78 . 9 LEU HB3 H 1.591 . . 79 . 9 LEU HG H 1.674 . . 80 . 9 LEU HD1 H 0.957 . . 81 . 9 LEU HD2 H 0.779 . . 82 . 9 LEU C C 177.786 . . 83 . 9 LEU CA C 54.022 . . 84 . 9 LEU CB C 41.719 . . 85 . 9 LEU CG C 27.364 . . 86 . 9 LEU CD1 C 25.215 . . 87 . 9 LEU CD2 C 22.664 . . 88 . 9 LEU N N 126.990 . . 89 . 10 LEU H H 8.680 . . 90 . 10 LEU HA H 4.569 . . 91 . 10 LEU HB2 H 1.748 . . 92 . 10 LEU HB3 H 1.619 . . 93 . 10 LEU HG H 2.000 . . 94 . 10 LEU HD1 H 0.808 . . 95 . 10 LEU HD2 H 0.673 . . 96 . 10 LEU C C 179.401 . . 97 . 10 LEU CA C 54.821 . . 98 . 10 LEU CB C 42.971 . . 99 . 10 LEU CG C 26.881 . . 100 . 10 LEU CD1 C 27.320 . . 101 . 10 LEU CD2 C 24.010 . . 102 . 10 LEU N N 122.300 . . 103 . 11 THR H H 9.520 . . 104 . 11 THR HA H 4.493 . . 105 . 11 THR HB H 4.789 . . 106 . 11 THR HG2 H 1.366 . . 107 . 11 THR C C 175.456 . . 108 . 11 THR CA C 60.843 . . 109 . 11 THR CB C 71.112 . . 110 . 11 THR CG2 C 21.720 . . 111 . 11 THR N N 114.760 . . 112 . 12 ALA H H 9.000 . . 113 . 12 ALA HA H 4.127 . . 114 . 12 ALA HB H 1.543 . . 115 . 12 ALA C C 180.906 . . 116 . 12 ALA CA C 55.795 . . 117 . 12 ALA CB C 17.871 . . 118 . 12 ALA N N 122.980 . . 119 . 13 SER H H 8.530 . . 120 . 13 SER HA H 4.302 . . 121 . 13 SER HB2 H 3.921 . . 122 . 13 SER HB3 H 3.921 . . 123 . 13 SER C C 177.646 . . 124 . 13 SER CA C 61.242 . . 125 . 13 SER CB C 62.471 . . 126 . 13 SER N N 112.700 . . 127 . 14 GLU H H 7.630 . . 128 . 14 GLU HA H 3.980 . . 129 . 14 GLU HB2 H 2.482 . . 130 . 14 GLU HB3 H 1.913 . . 131 . 14 GLU HG2 H 2.300 . . 132 . 14 GLU HG3 H 2.300 . . 133 . 14 GLU C C 179.945 . . 134 . 14 GLU CA C 59.147 . . 135 . 14 GLU CB C 30.673 . . 136 . 14 GLU CG C 36.755 . . 137 . 14 GLU N N 122.390 . . 138 . 15 ARG H H 8.640 . . 139 . 15 ARG HA H 4.009 . . 140 . 15 ARG HB2 H 2.074 . . 141 . 15 ARG HB3 H 1.934 . . 142 . 15 ARG HG2 H 1.789 . . 143 . 15 ARG HG3 H 1.789 . . 144 . 15 ARG HD2 H 3.336 . . 145 . 15 ARG HD3 H 3.336 . . 146 . 15 ARG C C 179.441 . . 147 . 15 ARG CA C 59.606 . . 148 . 15 ARG CB C 29.677 . . 149 . 15 ARG CG C 28.164 . . 150 . 15 ARG CD C 42.919 . . 151 . 15 ARG N N 118.970 . . 152 . 16 GLU H H 8.220 . . 153 . 16 GLU HA H 4.157 . . 154 . 16 GLU HB2 H 2.262 . . 155 . 16 GLU HB3 H 2.159 . . 156 . 16 GLU HG2 H 2.494 . . 157 . 16 GLU HG3 H 2.319 . . 158 . 16 GLU C C 179.115 . . 159 . 16 GLU CA C 59.703 . . 160 . 16 GLU CB C 29.682 . . 161 . 16 GLU CG C 36.490 . . 162 . 16 GLU N N 119.890 . . 163 . 17 ARG H H 7.320 . . 164 . 17 ARG HA H 4.244 . . 165 . 17 ARG HB2 H 2.115 . . 166 . 17 ARG HB3 H 2.115 . . 167 . 17 ARG HG2 H 1.995 . . 168 . 17 ARG HG3 H 1.894 . . 169 . 17 ARG HD2 H 3.418 . . 170 . 17 ARG HD3 H 3.364 . . 171 . 17 ARG C C 176.891 . . 172 . 17 ARG CA C 58.019 . . 173 . 17 ARG CB C 30.875 . . 174 . 17 ARG CG C 27.837 . . 175 . 17 ARG CD C 43.880 . . 176 . 17 ARG N N 115.790 . . 177 . 18 LEU H H 7.440 . . 178 . 18 LEU HA H 4.744 . . 179 . 18 LEU HB2 H 2.046 . . 180 . 18 LEU HB3 H 1.721 . . 181 . 18 LEU HG H 2.002 . . 182 . 18 LEU HD1 H 0.985 . . 183 . 18 LEU HD2 H 0.911 . . 184 . 18 LEU C C 177.576 . . 185 . 18 LEU CA C 55.168 . . 186 . 18 LEU CB C 42.508 . . 187 . 18 LEU CG C 26.988 . . 188 . 18 LEU CD1 C 27.472 . . 189 . 18 LEU CD2 C 24.923 . . 190 . 18 LEU N N 114.760 . . 191 . 19 GLU H H 7.620 . . 192 . 19 GLU HA H 4.186 . . 193 . 19 GLU HB2 H 2.170 . . 194 . 19 GLU HB3 H 2.248 . . 195 . 19 GLU HG2 H 2.406 . . 196 . 19 GLU HG3 H 2.538 . . 197 . 19 GLU C C 174.961 . . 198 . 19 GLU CA C 60.846 . . 199 . 19 GLU CB C 27.817 . . 200 . 19 GLU CG C 36.320 . . 201 . 19 GLU N N 120.340 . . 202 . 20 PRO HA H 4.332 . . 203 . 20 PRO HB2 H 2.121 . . 204 . 20 PRO HB3 H 0.747 . . 205 . 20 PRO HG2 H 1.809 . . 206 . 20 PRO HG3 H 1.631 . . 207 . 20 PRO HD2 H 3.743 . . 208 . 20 PRO HD3 H 3.289 . . 209 . 20 PRO C C 176.891 . . 210 . 20 PRO CA C 65.153 . . 211 . 20 PRO CB C 31.433 . . 212 . 20 PRO CG C 27.902 . . 213 . 20 PRO CD C 50.837 . . 214 . 20 PRO N N 132.931 . . 215 . 21 PHE H H 7.770 . . 216 . 21 PHE HA H 4.625 . . 217 . 21 PHE HB2 H 3.473 . . 218 . 21 PHE HB3 H 3.105 . . 219 . 21 PHE HD1 H 7.363 . . 220 . 21 PHE HD2 H 7.363 . . 221 . 21 PHE HE1 H 7.363 . . 222 . 21 PHE HE2 H 7.363 . . 223 . 21 PHE HZ H 7.258 . . 224 . 21 PHE C C 177.526 . . 225 . 21 PHE CA C 58.583 . . 226 . 21 PHE CB C 41.240 . . 227 . 21 PHE CD1 C 131.908 . . 228 . 21 PHE CD2 C 131.908 . . 229 . 21 PHE CE1 C 130.975 . . 230 . 21 PHE CE2 C 130.975 . . 231 . 21 PHE CZ C 129.421 . . 232 . 21 PHE N N 111.900 . . 233 . 22 ILE H H 7.390 . . 234 . 22 ILE HA H 3.757 . . 235 . 22 ILE HB H 2.042 . . 236 . 22 ILE HG12 H 1.895 . . 237 . 22 ILE HG13 H 1.538 . . 238 . 22 ILE HG2 H 1.131 . . 239 . 22 ILE HD1 H 0.984 . . 240 . 22 ILE C C 178.266 . . 241 . 22 ILE CA C 65.971 . . 242 . 22 ILE CB C 37.787 . . 243 . 22 ILE CG1 C 28.910 . . 244 . 22 ILE CG2 C 17.265 . . 245 . 22 ILE CD1 C 13.077 . . 246 . 22 ILE N N 117.710 . . 247 . 23 ASP H H 8.720 . . 248 . 23 ASP HA H 4.718 . . 249 . 23 ASP HB2 H 2.806 . . 250 . 23 ASP HB3 H 2.806 . . 251 . 23 ASP C C 176.656 . . 252 . 23 ASP CA C 55.708 . . 253 . 23 ASP CB C 40.292 . . 254 . 23 ASP N N 117.740 . . 255 . 24 GLN H H 7.890 . . 256 . 24 GLN HA H 4.485 . . 257 . 24 GLN HB2 H 2.599 . . 258 . 24 GLN HB3 H 2.217 . . 259 . 24 GLN HG2 H 2.482 . . 260 . 24 GLN HG3 H 2.482 . . 261 . 24 GLN HE21 H 7.657 . . 262 . 24 GLN HE22 H 6.859 . . 263 . 24 GLN C C 175.891 . . 264 . 24 GLN CA C 55.378 . . 265 . 24 GLN CB C 30.158 . . 266 . 24 GLN CG C 34.209 . . 267 . 24 GLN N N 116.030 . . 268 . 24 GLN NE2 N 112.528 . . 269 . 25 ILE H H 7.350 . . 270 . 25 ILE HA H 3.950 . . 271 . 25 ILE HB H 1.837 . . 272 . 25 ILE HG12 H 2.188 . . 273 . 25 ILE HG13 H 0.890 . . 274 . 25 ILE HG2 H 0.407 . . 275 . 25 ILE HD1 H 0.888 . . 276 . 25 ILE C C 175.046 . . 277 . 25 ILE CA C 64.163 . . 278 . 25 ILE CB C 38.462 . . 279 . 25 ILE CG1 C 29.160 . . 280 . 25 ILE CG2 C 17.630 . . 281 . 25 ILE CD1 C 14.022 . . 282 . 25 ILE N N 122.070 . . 283 . 26 HIS H H 8.380 . . 284 . 26 HIS HA H 5.110 . . 285 . 26 HIS HB2 H 3.248 . . 286 . 26 HIS HB3 H 3.122 . . 287 . 26 HIS HD2 H 7.121 . . 288 . 26 HIS HE1 H 7.982 . . 289 . 26 HIS C C 172.721 . . 290 . 26 HIS CA C 54.585 . . 291 . 26 HIS CB C 32.846 . . 292 . 26 HIS CD2 C 118.538 . . 293 . 26 HIS N N 125.730 . . 294 . 27 TYR H H 8.650 . . 295 . 27 TYR HA H 4.631 . . 296 . 27 TYR HB2 H 2.747 . . 297 . 27 TYR HB3 H 2.535 . . 298 . 27 TYR HD1 H 6.763 . . 299 . 27 TYR HD2 H 6.763 . . 300 . 27 TYR HE1 H 6.451 . . 301 . 27 TYR HE2 H 6.451 . . 302 . 27 TYR C C 175.616 . . 303 . 27 TYR CA C 56.720 . . 304 . 27 TYR CB C 40.070 . . 305 . 27 TYR CD1 C 133.152 . . 306 . 27 TYR CD2 C 133.152 . . 307 . 27 TYR CE1 C 117.606 . . 308 . 27 TYR CE2 C 117.606 . . 309 . 27 TYR N N 122.980 . . 310 . 28 SER H H 8.850 . . 311 . 28 SER HA H 4.741 . . 312 . 28 SER HB2 H 4.341 . . 313 . 28 SER HB3 H 3.539 . . 314 . 28 SER C C 171.856 . . 315 . 28 SER CA C 57.969 . . 316 . 28 SER CB C 62.686 . . 317 . 28 SER N N 121.190 . . 318 . 29 PRO HA H 4.728 . . 319 . 29 PRO HB2 H 2.544 . . 320 . 29 PRO HB3 H 1.924 . . 321 . 29 PRO HG2 H 2.188 . . 322 . 29 PRO HG3 H 2.129 . . 323 . 29 PRO HD2 H 4.006 . . 324 . 29 PRO HD3 H 3.767 . . 325 . 29 PRO C C 177.050 . . 326 . 29 PRO CA C 63.129 . . 327 . 29 PRO CB C 32.318 . . 328 . 29 PRO CG C 27.856 . . 329 . 29 PRO CD C 50.645 . . 330 . 29 PRO N N 134.483 . . 331 . 30 ARG H H 8.740 . . 332 . 30 ARG HA H 5.213 . . 333 . 30 ARG HB2 H 1.982 . . 334 . 30 ARG HB3 H 1.982 . . 335 . 30 ARG HG2 H 1.889 . . 336 . 30 ARG HG3 H 1.836 . . 337 . 30 ARG HD2 H 3.346 . . 338 . 30 ARG HD3 H 3.346 . . 339 . 30 ARG C C 176.425 . . 340 . 30 ARG CA C 55.920 . . 341 . 30 ARG CB C 32.301 . . 342 . 30 ARG CG C 27.261 . . 343 . 30 ARG CD C 44.287 . . 344 . 30 ARG N N 122.650 . . 345 . 31 TYR H H 8.930 . . 346 . 31 TYR HA H 5.108 . . 347 . 31 TYR HB2 H 3.187 . . 348 . 31 TYR HB3 H 3.187 . . 349 . 31 TYR HD1 H 7.063 . . 350 . 31 TYR HD2 H 7.063 . . 351 . 31 TYR HE1 H 6.489 . . 352 . 31 TYR HE2 H 6.489 . . 353 . 31 TYR C C 173.210 . . 354 . 31 TYR CA C 56.845 . . 355 . 31 TYR CB C 40.157 . . 356 . 31 TYR CD1 C 134.085 . . 357 . 31 TYR CD2 C 134.085 . . 358 . 31 TYR CE1 C 117.917 . . 359 . 31 TYR CE2 C 117.917 . . 360 . 31 TYR N N 120.670 . . 361 . 32 ALA H H 8.770 . . 362 . 32 ALA HA H 5.653 . . 363 . 32 ALA HB H 1.601 . . 364 . 32 ALA C C 177.820 . . 365 . 32 ALA CA C 52.290 . . 366 . 32 ALA CB C 23.580 . . 367 . 32 ALA N N 121.380 . . 368 . 33 ASP H H 9.000 . . 369 . 33 ASP HA H 5.008 . . 370 . 33 ASP HB2 H 3.560 . . 371 . 33 ASP HB3 H 2.980 . . 372 . 33 ASP C C 175.925 . . 373 . 33 ASP CA C 52.961 . . 374 . 33 ASP CB C 41.846 . . 375 . 33 ASP N N 122.490 . . 376 . 34 ASP H H 8.460 . . 377 . 34 ASP HA H 4.525 . . 378 . 34 ASP HB2 H 2.817 . . 379 . 34 ASP HB3 H 2.746 . . 380 . 34 ASP C C 176.501 . . 381 . 34 ASP CA C 56.880 . . 382 . 34 ASP CB C 40.890 . . 383 . 34 ASP N N 115.760 . . 384 . 35 GLU H H 8.670 . . 385 . 35 GLU HA H 4.349 . . 386 . 35 GLU HB2 H 1.865 . . 387 . 35 GLU HB3 H 1.663 . . 388 . 35 GLU HG2 H 2.069 . . 389 . 35 GLU HG3 H 1.923 . . 390 . 35 GLU C C 175.506 . . 391 . 35 GLU CA C 57.916 . . 392 . 35 GLU CB C 34.025 . . 393 . 35 GLU CG C 36.905 . . 394 . 35 GLU N N 117.990 . . 395 . 36 TYR H H 9.180 . . 396 . 36 TYR HA H 4.860 . . 397 . 36 TYR HB2 H 2.392 . . 398 . 36 TYR HB3 H 2.304 . . 399 . 36 TYR HD1 H 6.933 . . 400 . 36 TYR HD2 H 6.933 . . 401 . 36 TYR HE1 H 6.763 . . 402 . 36 TYR HE2 H 6.763 . . 403 . 36 TYR C C 174.126 . . 404 . 36 TYR CA C 57.993 . . 405 . 36 TYR CB C 42.043 . . 406 . 36 TYR CD1 C 133.463 . . 407 . 36 TYR CD2 C 133.463 . . 408 . 36 TYR CE1 C 117.917 . . 409 . 36 TYR CE2 C 117.917 . . 410 . 36 TYR N N 120.030 . . 411 . 37 GLU H H 8.680 . . 412 . 37 GLU HA H 5.109 . . 413 . 37 GLU HB2 H 1.954 . . 414 . 37 GLU HB3 H 1.836 . . 415 . 37 GLU HG2 H 2.130 . . 416 . 37 GLU HG3 H 2.070 . . 417 . 37 GLU C C 174.245 . . 418 . 37 GLU CA C 54.267 . . 419 . 37 GLU CB C 33.968 . . 420 . 37 GLU CG C 37.155 . . 421 . 37 GLU N N 115.080 . . 422 . 38 TYR H H 9.120 . . 423 . 38 TYR HA H 5.741 . . 424 . 38 TYR HB2 H 2.948 . . 425 . 38 TYR HB3 H 1.446 . . 426 . 38 TYR HD1 H 6.881 . . 427 . 38 TYR HD2 H 6.881 . . 428 . 38 TYR HE1 H 6.359 . . 429 . 38 TYR HE2 H 6.359 . . 430 . 38 TYR C C 175.196 . . 431 . 38 TYR CA C 57.385 . . 432 . 38 TYR CB C 42.897 . . 433 . 38 TYR CD1 C 133.774 . . 434 . 38 TYR CD2 C 133.774 . . 435 . 38 TYR CE1 C 116.984 . . 436 . 38 TYR CE2 C 116.984 . . 437 . 38 TYR N N 116.900 . . 438 . 39 ARG H H 8.397 . . 439 . 39 ARG HA H 4.371 . . 440 . 39 ARG HB2 H 1.414 . . 441 . 39 ARG HB3 H 1.336 . . 442 . 39 ARG C C 173.605 . . 443 . 39 ARG CA C 56.500 . . 444 . 39 ARG CB C 31.790 . . 445 . 39 ARG N N 115.510 . . 446 . 40 HIS H H 9.000 . . 447 . 40 HIS HA H 5.776 . . 448 . 40 HIS HB2 H 3.041 . . 449 . 40 HIS HB3 H 2.931 . . 450 . 40 HIS HD2 H 6.835 . . 451 . 40 HIS HE1 H 7.878 . . 452 . 40 HIS C C 174.191 . . 453 . 40 HIS CA C 54.013 . . 454 . 40 HIS CB C 32.727 . . 455 . 40 HIS CD2 C 119.160 . . 456 . 40 HIS CE1 C 138.285 . . 457 . 40 HIS N N 120.670 . . 458 . 41 VAL H H 9.360 . . 459 . 41 VAL HA H 4.438 . . 460 . 41 VAL HB H 1.885 . . 461 . 41 VAL HG1 H 0.454 . . 462 . 41 VAL HG2 H 0.405 . . 463 . 41 VAL C C 173.826 . . 464 . 41 VAL CA C 61.242 . . 465 . 41 VAL CB C 34.618 . . 466 . 41 VAL CG1 C 21.178 . . 467 . 41 VAL CG2 C 22.110 . . 468 . 41 VAL N N 123.310 . . 469 . 42 MET H H 9.190 . . 470 . 42 MET HA H 5.097 . . 471 . 42 MET HB2 H 2.146 . . 472 . 42 MET HB3 H 1.926 . . 473 . 42 MET HG2 H 2.478 . . 474 . 42 MET HG3 H 2.341 . . 475 . 42 MET HE H 2.013 . . 476 . 42 MET C C 175.495 . . 477 . 42 MET CA C 54.548 . . 478 . 42 MET CB C 34.994 . . 479 . 42 MET CG C 32.372 . . 480 . 42 MET CE C 17.271 . . 481 . 42 MET N N 126.180 . . 482 . 43 LEU H H 9.390 . . 483 . 43 LEU HA H 4.655 . . 484 . 43 LEU HB2 H 1.724 . . 485 . 43 LEU HB3 H 1.599 . . 486 . 43 LEU HG H 1.864 . . 487 . 43 LEU HD1 H 0.837 . . 488 . 43 LEU HD2 H 0.837 . . 489 . 43 LEU C C 174.751 . . 490 . 43 LEU CA C 52.333 . . 491 . 43 LEU CB C 40.135 . . 492 . 43 LEU CG C 26.615 . . 493 . 43 LEU CD1 C 25.515 . . 494 . 43 LEU CD2 C 22.047 . . 495 . 43 LEU N N 127.020 . . 496 . 44 PRO HA H 4.607 . . 497 . 44 PRO HB2 H 2.521 . . 498 . 44 PRO HB3 H 1.912 . . 499 . 44 PRO HG2 H 2.358 . . 500 . 44 PRO HG3 H 2.358 . . 501 . 44 PRO HD2 H 3.720 . . 502 . 44 PRO HD3 H 3.589 . . 503 . 44 PRO C C 178.821 . . 504 . 44 PRO CA C 62.561 . . 505 . 44 PRO CB C 31.379 . . 506 . 44 PRO CG C 29.147 . . 507 . 44 PRO CD C 49.686 . . 508 . 44 PRO N N 133.291 . . 509 . 45 LYS H H 8.690 . . 510 . 45 LYS HA H 3.598 . . 511 . 45 LYS HB2 H 1.700 . . 512 . 45 LYS HB3 H 1.592 . . 513 . 45 LYS HG2 H 1.251 . . 514 . 45 LYS HG3 H 0.925 . . 515 . 45 LYS HD2 H 1.494 . . 516 . 45 LYS HD3 H 1.494 . . 517 . 45 LYS HE2 H 2.575 . . 518 . 45 LYS HE3 H 2.575 . . 519 . 45 LYS C C 179.915 . . 520 . 45 LYS CA C 61.143 . . 521 . 45 LYS CB C 31.987 . . 522 . 45 LYS CG C 26.095 . . 523 . 45 LYS CD C 29.249 . . 524 . 45 LYS CE C 41.711 . . 525 . 45 LYS N N 126.060 . . 526 . 46 ALA H H 8.860 . . 527 . 46 ALA HA H 4.027 . . 528 . 46 ALA HB H 1.468 . . 529 . 46 ALA C C 178.876 . . 530 . 46 ALA CA C 54.239 . . 531 . 46 ALA CB C 18.986 . . 532 . 46 ALA N N 118.820 . . 533 . 47 MET H H 7.510 . . 534 . 47 MET HA H 2.690 . . 535 . 47 MET HB2 H 1.990 . . 536 . 47 MET HB3 H 1.293 . . 537 . 47 MET HG2 H 2.371 . . 538 . 47 MET HG3 H 2.302 . . 539 . 47 MET HE H 2.300 . . 540 . 47 MET C C 177.836 . . 541 . 47 MET CA C 57.935 . . 542 . 47 MET CB C 33.394 . . 543 . 47 MET CG C 33.394 . . 544 . 47 MET CE C 19.352 . . 545 . 47 MET N N 116.700 . . 546 . 48 LEU H H 7.160 . . 547 . 48 LEU HA H 3.991 . . 548 . 48 LEU HB2 H 1.897 . . 549 . 48 LEU HB3 H 1.751 . . 550 . 48 LEU HG H 1.805 . . 551 . 48 LEU HD1 H 1.042 . . 552 . 48 LEU HD2 H 0.984 . . 553 . 48 LEU C C 178.721 . . 554 . 48 LEU CA C 58.306 . . 555 . 48 LEU CB C 41.303 . . 556 . 48 LEU CG C 28.348 . . 557 . 48 LEU CD1 C 25.244 . . 558 . 48 LEU CD2 C 23.378 . . 559 . 48 LEU N N 114.920 . . 560 . 49 LYS H H 6.890 . . 561 . 49 LYS HA H 4.146 . . 562 . 49 LYS HB2 H 1.953 . . 563 . 49 LYS HB3 H 1.808 . . 564 . 49 LYS HG2 H 1.488 . . 565 . 49 LYS HG3 H 1.488 . . 566 . 49 LYS HD2 H 1.687 . . 567 . 49 LYS HD3 H 1.687 . . 568 . 49 LYS HE2 H 3.000 . . 569 . 49 LYS HE3 H 3.000 . . 570 . 49 LYS C C 176.255 . . 571 . 49 LYS CA C 57.406 . . 572 . 49 LYS CB C 32.184 . . 573 . 49 LYS CG C 24.867 . . 574 . 49 LYS CD C 28.892 . . 575 . 49 LYS CE C 42.019 . . 576 . 49 LYS N N 113.020 . . 577 . 50 ALA H H 7.460 . . 578 . 50 ALA HA H 4.508 . . 579 . 50 ALA HB H 1.468 . . 580 . 50 ALA C C 175.960 . . 581 . 50 ALA CA C 51.445 . . 582 . 50 ALA CB C 20.603 . . 583 . 50 ALA N N 119.890 . . 584 . 51 ILE H H 7.020 . . 585 . 51 ILE HA H 4.097 . . 586 . 51 ILE HB H 2.061 . . 587 . 51 ILE HG12 H 2.272 . . 588 . 51 ILE HG13 H 0.866 . . 589 . 51 ILE HG2 H 1.013 . . 590 . 51 ILE HD1 H 0.866 . . 591 . 51 ILE C C 173.510 . . 592 . 51 ILE CA C 60.290 . . 593 . 51 ILE CB C 40.146 . . 594 . 51 ILE CG1 C 29.657 . . 595 . 51 ILE CG2 C 17.881 . . 596 . 51 ILE CD1 C 14.651 . . 597 . 51 ILE N N 122.280 . . 598 . 52 PRO HA H 4.478 . . 599 . 52 PRO HB2 H 2.365 . . 600 . 52 PRO HB3 H 1.821 . . 601 . 52 PRO HG2 H 1.703 . . 602 . 52 PRO HG3 H 1.703 . . 603 . 52 PRO HD2 H 3.922 . . 604 . 52 PRO HD3 H 3.057 . . 605 . 52 PRO C C 177.521 . . 606 . 52 PRO CA C 63.699 . . 607 . 52 PRO CB C 33.003 . . 608 . 52 PRO CG C 29.287 . . 609 . 52 PRO CD C 50.864 . . 610 . 52 PRO N N 139.031 . . 611 . 53 THR H H 8.600 . . 612 . 53 THR HA H 4.157 . . 613 . 53 THR HB H 4.274 . . 614 . 53 THR HG2 H 1.366 . . 615 . 53 THR C C 176.376 . . 616 . 53 THR CA C 65.924 . . 617 . 53 THR CB C 69.110 . . 618 . 53 THR CG2 C 22.130 . . 619 . 53 THR N N 114.950 . . 620 . 54 ASP H H 8.820 . . 621 . 54 ASP HA H 4.731 . . 622 . 54 ASP HB2 H 2.750 . . 623 . 54 ASP HB3 H 2.691 . . 624 . 54 ASP C C 176.501 . . 625 . 54 ASP CA C 55.521 . . 626 . 54 ASP CB C 39.777 . . 627 . 54 ASP N N 117.370 . . 628 . 55 TYR H H 8.220 . . 629 . 55 TYR HA H 4.273 . . 630 . 55 TYR HB2 H 3.040 . . 631 . 55 TYR HB3 H 2.866 . . 632 . 55 TYR HD1 H 6.900 . . 633 . 55 TYR HD2 H 6.900 . . 634 . 55 TYR HE1 H 6.705 . . 635 . 55 TYR HE2 H 6.705 . . 636 . 55 TYR C C 173.491 . . 637 . 55 TYR CA C 58.740 . . 638 . 55 TYR CB C 36.905 . . 639 . 55 TYR CD1 C 133.774 . . 640 . 55 TYR CD2 C 133.774 . . 641 . 55 TYR CE1 C 117.606 . . 642 . 55 TYR CE2 C 117.606 . . 643 . 55 TYR N N 119.870 . . 644 . 56 PHE H H 7.940 . . 645 . 56 PHE HA H 4.737 . . 646 . 56 PHE HB2 H 3.129 . . 647 . 56 PHE HB3 H 2.642 . . 648 . 56 PHE HD1 H 7.102 . . 649 . 56 PHE HD2 H 7.102 . . 650 . 56 PHE HE1 H 7.265 . . 651 . 56 PHE HE2 H 7.265 . . 652 . 56 PHE HZ H 7.467 . . 653 . 56 PHE C C 175.336 . . 654 . 56 PHE CA C 58.022 . . 655 . 56 PHE CB C 40.353 . . 656 . 56 PHE CD1 C 131.908 . . 657 . 56 PHE CD2 C 131.908 . . 658 . 56 PHE CE1 C 131.286 . . 659 . 56 PHE CE2 C 131.286 . . 660 . 56 PHE CZ C 129.576 . . 661 . 56 PHE N N 116.720 . . 662 . 57 ASN H H 9.350 . . 663 . 57 ASN HA H 5.067 . . 664 . 57 ASN HB2 H 3.532 . . 665 . 57 ASN HB3 H 2.423 . . 666 . 57 ASN HD21 H 7.777 . . 667 . 57 ASN HD22 H 7.464 . . 668 . 57 ASN C C 175.096 . . 669 . 57 ASN CA C 50.026 . . 670 . 57 ASN CB C 39.239 . . 671 . 57 ASN N N 121.470 . . 672 . 57 ASN ND2 N 113.712 . . 673 . 58 PRO HA H 4.449 . . 674 . 58 PRO HB2 H 2.426 . . 675 . 58 PRO HB3 H 2.099 . . 676 . 58 PRO HG2 H 2.159 . . 677 . 58 PRO HG3 H 2.159 . . 678 . 58 PRO HD2 H 4.214 . . 679 . 58 PRO HD3 H 4.062 . . 680 . 58 PRO C C 177.926 . . 681 . 58 PRO CA C 64.279 . . 682 . 58 PRO CB C 32.350 . . 683 . 58 PRO CG C 27.091 . . 684 . 58 PRO CD C 51.151 . . 685 . 58 PRO N N 138.412 . . 686 . 59 GLU H H 8.240 . . 687 . 59 GLU HA H 4.260 . . 688 . 59 GLU HB2 H 2.159 . . 689 . 59 GLU HB3 H 2.159 . . 690 . 59 GLU HG2 H 2.395 . . 691 . 59 GLU HG3 H 2.305 . . 692 . 59 GLU C C 177.926 . . 693 . 59 GLU CA C 58.485 . . 694 . 59 GLU CB C 30.289 . . 695 . 59 GLU CG C 36.932 . . 696 . 59 GLU N N 115.590 . . 697 . 60 THR H H 7.230 . . 698 . 60 THR HA H 4.562 . . 699 . 60 THR HB H 4.353 . . 700 . 60 THR HG2 H 1.161 . . 701 . 60 THR C C 176.680 . . 702 . 60 THR CA C 61.425 . . 703 . 60 THR CB C 70.537 . . 704 . 60 THR CG2 C 21.775 . . 705 . 60 THR N N 104.900 . . 706 . 61 GLY H H 8.570 . . 707 . 61 GLY HA2 H 4.214 . . 708 . 61 GLY HA3 H 3.888 . . 709 . 61 GLY C C 174.410 . . 710 . 61 GLY CA C 45.995 . . 711 . 61 GLY N N 110.080 . . 712 . 62 THR H H 7.870 . . 713 . 62 THR HA H 4.862 . . 714 . 62 THR HB H 4.507 . . 715 . 62 THR HG2 H 1.132 . . 716 . 62 THR C C 173.941 . . 717 . 62 THR CA C 59.902 . . 718 . 62 THR CB C 72.263 . . 719 . 62 THR CG2 C 21.140 . . 720 . 62 THR N N 109.550 . . 721 . 63 LEU H H 9.210 . . 722 . 63 LEU HA H 3.996 . . 723 . 63 LEU HB2 H 1.545 . . 724 . 63 LEU HB3 H 1.410 . . 725 . 63 LEU HG H 1.661 . . 726 . 63 LEU HD1 H 0.674 . . 727 . 63 LEU HD2 H 0.193 . . 728 . 63 LEU C C 177.631 . . 729 . 63 LEU CA C 56.522 . . 730 . 63 LEU CB C 42.984 . . 731 . 63 LEU CG C 27.192 . . 732 . 63 LEU CD1 C 26.454 . . 733 . 63 LEU CD2 C 24.140 . . 734 . 63 LEU N N 122.750 . . 735 . 64 ARG H H 8.250 . . 736 . 64 ARG HA H 4.299 . . 737 . 64 ARG HB2 H 1.796 . . 738 . 64 ARG HB3 H 1.490 . . 739 . 64 ARG HG2 H 1.348 . . 740 . 64 ARG HG3 H 1.236 . . 741 . 64 ARG HD2 H 3.210 . . 742 . 64 ARG HD3 H 3.104 . . 743 . 64 ARG C C 172.956 . . 744 . 64 ARG CA C 54.862 . . 745 . 64 ARG CB C 31.129 . . 746 . 64 ARG CG C 27.650 . . 747 . 64 ARG CD C 43.471 . . 748 . 64 ARG N N 119.270 . . 749 . 65 ILE H H 7.780 . . 750 . 65 ILE HA H 3.628 . . 751 . 65 ILE HB H 1.969 . . 752 . 65 ILE HG12 H 1.430 . . 753 . 65 ILE HG13 H 1.430 . . 754 . 65 ILE HG2 H 0.763 . . 755 . 65 ILE HD1 H 0.573 . . 756 . 65 ILE C C 176.751 . . 757 . 65 ILE CA C 61.435 . . 758 . 65 ILE CB C 34.245 . . 759 . 65 ILE CG1 C 26.967 . . 760 . 65 ILE CG2 C 18.098 . . 761 . 65 ILE CD1 C 10.082 . . 762 . 65 ILE N N 114.190 . . 763 . 66 LEU H H 7.970 . . 764 . 66 LEU HA H 4.513 . . 765 . 66 LEU HB2 H 2.132 . . 766 . 66 LEU HB3 H 1.803 . . 767 . 66 LEU HG H 0.839 . . 768 . 66 LEU HD1 H 0.883 . . 769 . 66 LEU HD2 H 0.517 . . 770 . 66 LEU C C 177.230 . . 771 . 66 LEU CA C 54.011 . . 772 . 66 LEU CB C 42.512 . . 773 . 66 LEU CG C 26.039 . . 774 . 66 LEU CD1 C 26.358 . . 775 . 66 LEU CD2 C 22.319 . . 776 . 66 LEU N N 132.460 . . 777 . 67 GLN H H 9.410 . . 778 . 67 GLN HA H 4.567 . . 779 . 67 GLN HB2 H 2.499 . . 780 . 67 GLN HB3 H 1.672 . . 781 . 67 GLN HG2 H 2.574 . . 782 . 67 GLN HG3 H 2.499 . . 783 . 67 GLN HE21 H 7.697 . . 784 . 67 GLN HE22 H 6.732 . . 785 . 67 GLN C C 177.501 . . 786 . 67 GLN CA C 55.246 . . 787 . 67 GLN CB C 30.447 . . 788 . 67 GLN CG C 34.495 . . 789 . 67 GLN N N 120.910 . . 790 . 67 GLN NE2 N 111.944 . . 791 . 68 GLU H H 9.400 . . 792 . 68 GLU HA H 2.690 . . 793 . 68 GLU HB2 H 2.188 . . 794 . 68 GLU HB3 H 1.860 . . 795 . 68 GLU HG2 H 1.777 . . 796 . 68 GLU HG3 H 1.777 . . 797 . 68 GLU C C 177.010 . . 798 . 68 GLU CA C 60.259 . . 799 . 68 GLU CB C 28.918 . . 800 . 68 GLU CG C 35.765 . . 801 . 68 GLU N N 125.200 . . 802 . 69 GLU H H 9.520 . . 803 . 69 GLU HA H 3.715 . . 804 . 69 GLU HB2 H 1.954 . . 805 . 69 GLU HB3 H 1.689 . . 806 . 69 GLU HG2 H 2.364 . . 807 . 69 GLU HG3 H 2.305 . . 808 . 69 GLU C C 180.120 . . 809 . 69 GLU CA C 59.991 . . 810 . 69 GLU CB C 29.892 . . 811 . 69 GLU CG C 37.137 . . 812 . 69 GLU N N 114.560 . . 813 . 70 GLU H H 7.380 . . 814 . 70 GLU HA H 4.360 . . 815 . 70 GLU HB2 H 2.819 . . 816 . 70 GLU HB3 H 1.793 . . 817 . 70 GLU HG2 H 2.507 . . 818 . 70 GLU HG3 H 2.037 . . 819 . 70 GLU C C 178.816 . . 820 . 70 GLU CA C 57.694 . . 821 . 70 GLU CB C 30.868 . . 822 . 70 GLU CG C 36.965 . . 823 . 70 GLU N N 114.430 . . 824 . 71 TRP H H 8.380 . . 825 . 71 TRP HA H 4.609 . . 826 . 71 TRP HB2 H 3.647 . . 827 . 71 TRP HB3 H 3.319 . . 828 . 71 TRP HD1 H 7.176 . . 829 . 71 TRP HE1 H 10.957 . . 830 . 71 TRP HE3 H 7.350 . . 831 . 71 TRP HZ2 H 7.963 . . 832 . 71 TRP HZ3 H 7.254 . . 833 . 71 TRP HH2 H 7.206 . . 834 . 71 TRP C C 180.050 . . 835 . 71 TRP CA C 60.362 . . 836 . 71 TRP CB C 28.278 . . 837 . 71 TRP CZ2 C 115.430 . . 838 . 71 TRP CH2 C 124.135 . . 839 . 71 TRP N N 115.800 . . 840 . 71 TRP NE1 N 130.665 . . 841 . 72 ARG H H 8.440 . . 842 . 72 ARG HA H 4.801 . . 843 . 72 ARG HB2 H 1.628 . . 844 . 72 ARG HB3 H 1.482 . . 845 . 72 ARG HG2 H 0.971 . . 846 . 72 ARG HG3 H 0.867 . . 847 . 72 ARG HD2 H 3.157 . . 848 . 72 ARG HD3 H 2.806 . . 849 . 72 ARG C C 181.660 . . 850 . 72 ARG CA C 60.266 . . 851 . 72 ARG CB C 29.325 . . 852 . 72 ARG CG C 29.717 . . 853 . 72 ARG CD C 43.046 . . 854 . 72 ARG N N 122.820 . . 855 . 73 GLY H H 7.420 . . 856 . 73 GLY HA2 H 4.008 . . 857 . 73 GLY HA3 H 4.008 . . 858 . 73 GLY C C 174.206 . . 859 . 73 GLY CA C 45.414 . . 860 . 73 GLY N N 107.840 . . 861 . 74 LEU H H 7.180 . . 862 . 74 LEU HA H 4.215 . . 863 . 74 LEU HB2 H 2.161 . . 864 . 74 LEU HB3 H 1.660 . . 865 . 74 LEU HG H 2.161 . . 866 . 74 LEU HD1 H 0.837 . . 867 . 74 LEU HD2 H 0.808 . . 868 . 74 LEU C C 174.421 . . 869 . 74 LEU CA C 55.154 . . 870 . 74 LEU CB C 42.669 . . 871 . 74 LEU CG C 27.235 . . 872 . 74 LEU CD1 C 26.045 . . 873 . 74 LEU CD2 C 23.899 . . 874 . 74 LEU N N 116.480 . . 875 . 75 GLY H H 7.470 . . 876 . 75 GLY HA2 H 4.450 . . 877 . 75 GLY HA3 H 3.622 . . 878 . 75 GLY C C 174.501 . . 879 . 75 GLY CA C 44.278 . . 880 . 75 GLY N N 98.890 . . 881 . 76 ILE H H 7.190 . . 882 . 76 ILE HA H 4.155 . . 883 . 76 ILE HB H 2.306 . . 884 . 76 ILE HG12 H 1.777 . . 885 . 76 ILE HG13 H 0.905 . . 886 . 76 ILE HG2 H 0.690 . . 887 . 76 ILE HD1 H 1.071 . . 888 . 76 ILE C C 175.251 . . 889 . 76 ILE CA C 62.170 . . 890 . 76 ILE CB C 38.234 . . 891 . 76 ILE CG1 C 28.670 . . 892 . 76 ILE CG2 C 18.670 . . 893 . 76 ILE CD1 C 14.687 . . 894 . 76 ILE N N 120.700 . . 895 . 77 THR H H 8.780 . . 896 . 77 THR HA H 4.684 . . 897 . 77 THR HB H 4.007 . . 898 . 77 THR HG2 H 1.160 . . 899 . 77 THR C C 172.766 . . 900 . 77 THR CA C 61.121 . . 901 . 77 THR CB C 69.960 . . 902 . 77 THR CG2 C 20.719 . . 903 . 77 THR N N 123.760 . . 904 . 78 GLN H H 7.320 . . 905 . 78 GLN HA H 4.566 . . 906 . 78 GLN HB2 H 1.955 . . 907 . 78 GLN HB3 H 1.836 . . 908 . 78 GLN HG2 H 1.687 . . 909 . 78 GLN HG3 H 1.687 . . 910 . 78 GLN HE21 H 7.548 . . 911 . 78 GLN HE22 H 6.891 . . 912 . 78 GLN C C 175.071 . . 913 . 78 GLN CA C 53.967 . . 914 . 78 GLN CB C 31.590 . . 915 . 78 GLN CG C 32.276 . . 916 . 78 GLN N N 118.960 . . 917 . 78 GLN NE2 N 112.902 . . 918 . 79 SER H H 9.180 . . 919 . 79 SER HA H 4.520 . . 920 . 79 SER HB2 H 4.214 . . 921 . 79 SER HB3 H 4.214 . . 922 . 79 SER C C 173.400 . . 923 . 79 SER CA C 59.447 . . 924 . 79 SER CB C 64.020 . . 925 . 79 SER N N 117.110 . . 926 . 80 LEU H H 8.120 . . 927 . 80 LEU HA H 4.310 . . 928 . 80 LEU HB2 H 1.777 . . 929 . 80 LEU HB3 H 1.650 . . 930 . 80 LEU HG H 1.803 . . 931 . 80 LEU HD1 H 1.013 . . 932 . 80 LEU HD2 H 0.984 . . 933 . 80 LEU C C 177.596 . . 934 . 80 LEU CA C 56.540 . . 935 . 80 LEU CB C 42.347 . . 936 . 80 LEU CG C 27.391 . . 937 . 80 LEU CD1 C 25.121 . . 938 . 80 LEU CD2 C 23.653 . . 939 . 80 LEU N N 119.000 . . 940 . 81 GLY H H 8.800 . . 941 . 81 GLY HA2 H 3.361 . . 942 . 81 GLY HA3 H 3.317 . . 943 . 81 GLY C C 174.615 . . 944 . 81 GLY CA C 44.820 . . 945 . 81 GLY N N 110.030 . . 946 . 82 TRP H H 7.070 . . 947 . 82 TRP HA H 4.437 . . 948 . 82 TRP HB2 H 2.898 . . 949 . 82 TRP HB3 H 2.898 . . 950 . 82 TRP HD1 H 7.539 . . 951 . 82 TRP HE1 H 10.164 . . 952 . 82 TRP HZ2 H 7.097 . . 953 . 82 TRP HZ3 H 6.741 . . 954 . 82 TRP HH2 H 6.628 . . 955 . 82 TRP C C 176.410 . . 956 . 82 TRP CA C 58.219 . . 957 . 82 TRP CB C 31.092 . . 958 . 82 TRP CZ2 C 113.875 . . 959 . 82 TRP CZ3 C 121.959 . . 960 . 82 TRP CH2 C 122.892 . . 961 . 82 TRP N N 119.340 . . 962 . 82 TRP NE1 N 130.157 . . 963 . 83 GLU H H 9.540 . . 964 . 83 GLU HA H 5.184 . . 965 . 83 GLU HB2 H 2.218 . . 966 . 83 GLU HB3 H 2.129 . . 967 . 83 GLU HG2 H 2.452 . . 968 . 83 GLU HG3 H 2.379 . . 969 . 83 GLU C C 175.776 . . 970 . 83 GLU CA C 54.586 . . 971 . 83 GLU CB C 32.954 . . 972 . 83 GLU CG C 35.799 . . 973 . 83 GLU N N 120.640 . . 974 . 84 MET H H 9.200 . . 975 . 84 MET HA H 3.452 . . 976 . 84 MET HB2 H 2.069 . . 977 . 84 MET HB3 H 1.181 . . 978 . 84 MET HG2 H 1.925 . . 979 . 84 MET HG3 H 1.747 . . 980 . 84 MET HE H 1.881 . . 981 . 84 MET C C 175.100 . . 982 . 84 MET CA C 56.847 . . 983 . 84 MET CB C 31.690 . . 984 . 84 MET CG C 33.672 . . 985 . 84 MET CE C 20.381 . . 986 . 84 MET N N 126.800 . . 987 . 85 TYR H H 8.750 . . 988 . 85 TYR HA H 5.066 . . 989 . 85 TYR HB2 H 3.187 . . 990 . 85 TYR HB3 H 2.632 . . 991 . 85 TYR HD1 H 7.024 . . 992 . 85 TYR HD2 H 7.024 . . 993 . 85 TYR HE1 H 6.776 . . 994 . 85 TYR HE2 H 6.776 . . 995 . 85 TYR C C 173.400 . . 996 . 85 TYR CA C 56.858 . . 997 . 85 TYR CB C 41.448 . . 998 . 85 TYR CD1 C 133.463 . . 999 . 85 TYR CD2 C 133.463 . . 1000 . 85 TYR CE1 C 118.228 . . 1001 . 85 TYR CE2 C 118.228 . . 1002 . 85 TYR N N 122.890 . . 1003 . 86 GLU H H 7.120 . . 1004 . 86 GLU HA H 4.380 . . 1005 . 86 GLU HB2 H 1.600 . . 1006 . 86 GLU HB3 H 1.364 . . 1007 . 86 GLU HG2 H 1.983 . . 1008 . 86 GLU HG3 H 1.983 . . 1009 . 86 GLU C C 173.150 . . 1010 . 86 GLU CA C 56.281 . . 1011 . 86 GLU CB C 34.628 . . 1012 . 86 GLU CG C 36.911 . . 1013 . 86 GLU N N 120.160 . . 1014 . 87 VAL H H 8.110 . . 1015 . 87 VAL HA H 4.107 . . 1016 . 87 VAL HB H 1.894 . . 1017 . 87 VAL HG1 H 0.908 . . 1018 . 87 VAL HG2 H 0.808 . . 1019 . 87 VAL C C 174.701 . . 1020 . 87 VAL CA C 62.017 . . 1021 . 87 VAL CB C 34.486 . . 1022 . 87 VAL CG1 C 21.100 . . 1023 . 87 VAL CG2 C 21.779 . . 1024 . 87 VAL N N 119.960 . . 1025 . 88 HIS H H 9.290 . . 1026 . 88 HIS HA H 4.689 . . 1027 . 88 HIS HB2 H 3.333 . . 1028 . 88 HIS HB3 H 2.894 . . 1029 . 88 HIS HD2 H 6.965 . . 1030 . 88 HIS HE1 H 7.982 . . 1031 . 88 HIS C C 176.431 . . 1032 . 88 HIS CA C 55.734 . . 1033 . 88 HIS CB C 30.994 . . 1034 . 88 HIS CD2 C 118.538 . . 1035 . 88 HIS N N 126.830 . . 1036 . 89 VAL H H 8.390 . . 1037 . 89 VAL HA H 3.656 . . 1038 . 89 VAL HB H 2.091 . . 1039 . 89 VAL HG1 H 1.072 . . 1040 . 89 VAL HG2 H 0.991 . . 1041 . 89 VAL C C 176.391 . . 1042 . 89 VAL CA C 65.212 . . 1043 . 89 VAL CB C 31.989 . . 1044 . 89 VAL CG1 C 21.516 . . 1045 . 89 VAL CG2 C 20.636 . . 1046 . 89 VAL N N 123.530 . . 1047 . 90 ALA H H 8.815 . . 1048 . 90 ALA HA H 4.367 . . 1049 . 90 ALA HB H 1.512 . . 1050 . 90 ALA C C 178.320 . . 1051 . 90 ALA CA C 53.347 . . 1052 . 90 ALA CB C 19.732 . . 1053 . 90 ALA N N 120.658 . . 1054 . 91 GLU H H 7.500 . . 1055 . 91 GLU HA H 5.010 . . 1056 . 91 GLU HB2 H 1.796 . . 1057 . 91 GLU HB3 H 1.731 . . 1058 . 91 GLU HG2 H 2.154 . . 1059 . 91 GLU HG3 H 2.154 . . 1060 . 91 GLU C C 173.870 . . 1061 . 91 GLU CA C 53.171 . . 1062 . 91 GLU CB C 31.193 . . 1063 . 91 GLU CG C 35.221 . . 1064 . 91 GLU N N 114.920 . . 1065 . 92 PRO HA H 4.463 . . 1066 . 92 PRO HB2 H 2.345 . . 1067 . 92 PRO HB3 H 2.218 . . 1068 . 92 PRO HG2 H 2.129 . . 1069 . 92 PRO HG3 H 1.983 . . 1070 . 92 PRO HD2 H 3.940 . . 1071 . 92 PRO HD3 H 3.682 . . 1072 . 92 PRO C C 174.001 . . 1073 . 92 PRO CA C 64.826 . . 1074 . 92 PRO CB C 32.195 . . 1075 . 92 PRO CG C 27.244 . . 1076 . 92 PRO CD C 49.996 . . 1077 . 92 PRO N N 135.660 . . 1078 . 93 HIS H H 9.020 . . 1079 . 93 HIS HA H 4.565 . . 1080 . 93 HIS HB2 H 3.907 . . 1081 . 93 HIS HB3 H 2.528 . . 1082 . 93 HIS HD2 H 7.148 . . 1083 . 93 HIS HE1 H 7.995 . . 1084 . 93 HIS C C 172.891 . . 1085 . 93 HIS CA C 55.684 . . 1086 . 93 HIS CB C 29.833 . . 1087 . 93 HIS N N 114.040 . . 1088 . 94 ILE H H 7.520 . . 1089 . 94 ILE HA H 4.598 . . 1090 . 94 ILE HB H 1.680 . . 1091 . 94 ILE HG12 H 0.436 . . 1092 . 94 ILE HG13 H 0.203 . . 1093 . 94 ILE HG2 H 0.568 . . 1094 . 94 ILE HD1 H 0.544 . . 1095 . 94 ILE C C 173.906 . . 1096 . 94 ILE CA C 61.376 . . 1097 . 94 ILE CB C 37.380 . . 1098 . 94 ILE CG1 C 26.977 . . 1099 . 94 ILE CG2 C 17.249 . . 1100 . 94 ILE CD1 C 12.923 . . 1101 . 94 ILE N N 120.360 . . 1102 . 95 LEU H H 9.340 . . 1103 . 95 LEU HA H 4.579 . . 1104 . 95 LEU HB2 H 1.844 . . 1105 . 95 LEU HB3 H 1.293 . . 1106 . 95 LEU HG H 1.699 . . 1107 . 95 LEU HD1 H 0.837 . . 1108 . 95 LEU HD2 H 0.778 . . 1109 . 95 LEU C C 175.305 . . 1110 . 95 LEU CA C 54.397 . . 1111 . 95 LEU CB C 44.534 . . 1112 . 95 LEU CG C 29.456 . . 1113 . 95 LEU CD1 C 24.647 . . 1114 . 95 LEU CD2 C 24.939 . . 1115 . 95 LEU N N 128.380 . . 1116 . 96 LEU H H 8.330 . . 1117 . 96 LEU HA H 4.890 . . 1118 . 96 LEU HB2 H 1.455 . . 1119 . 96 LEU HB3 H 1.073 . . 1120 . 96 LEU HG H 1.291 . . 1121 . 96 LEU HD1 H 0.631 . . 1122 . 96 LEU HD2 H 0.516 . . 1123 . 96 LEU C C 175.336 . . 1124 . 96 LEU CA C 55.747 . . 1125 . 96 LEU CB C 41.418 . . 1126 . 96 LEU CG C 28.890 . . 1127 . 96 LEU CD1 C 25.191 . . 1128 . 96 LEU CD2 C 24.201 . . 1129 . 96 LEU N N 123.080 . . 1130 . 97 PHE H H 9.090 . . 1131 . 97 PHE HA H 5.655 . . 1132 . 97 PHE HB2 H 3.004 . . 1133 . 97 PHE HB3 H 2.777 . . 1134 . 97 PHE HD1 H 6.750 . . 1135 . 97 PHE HD2 H 6.750 . . 1136 . 97 PHE HE1 H 5.877 . . 1137 . 97 PHE HE2 H 5.877 . . 1138 . 97 PHE HZ H 6.125 . . 1139 . 97 PHE C C 174.941 . . 1140 . 97 PHE CA C 56.633 . . 1141 . 97 PHE CB C 43.948 . . 1142 . 97 PHE CD1 C 131.442 . . 1143 . 97 PHE CD2 C 131.442 . . 1144 . 97 PHE CE1 C 130.665 . . 1145 . 97 PHE CE2 C 130.665 . . 1146 . 97 PHE CZ C 127.867 . . 1147 . 97 PHE N N 122.270 . . 1148 . 98 LYS H H 9.580 . . 1149 . 98 LYS HA H 6.007 . . 1150 . 98 LYS HB2 H 1.474 . . 1151 . 98 LYS HB3 H 1.204 . . 1152 . 98 LYS HG2 H 0.989 . . 1153 . 98 LYS HG3 H 0.798 . . 1154 . 98 LYS HD2 H 0.161 . . 1155 . 98 LYS HD3 H -0.014 . . 1156 . 98 LYS HE2 H 2.041 . . 1157 . 98 LYS HE3 H 2.041 . . 1158 . 98 LYS C C 174.461 . . 1159 . 98 LYS CA C 54.592 . . 1160 . 98 LYS CB C 37.754 . . 1161 . 98 LYS CG C 23.201 . . 1162 . 98 LYS CD C 28.954 . . 1163 . 98 LYS CE C 41.535 . . 1164 . 98 LYS N N 117.910 . . 1165 . 99 ARG H H 8.800 . . 1166 . 99 ARG HA H 4.539 . . 1167 . 99 ARG HB2 H 0.680 . . 1168 . 99 ARG HB3 H 0.363 . . 1169 . 99 ARG HG2 H 0.736 . . 1170 . 99 ARG HG3 H 0.580 . . 1171 . 99 ARG HD2 H 2.665 . . 1172 . 99 ARG HD3 H 2.509 . . 1173 . 99 ARG C C 174.570 . . 1174 . 99 ARG CA C 55.142 . . 1175 . 99 ARG CB C 33.474 . . 1176 . 99 ARG CG C 24.535 . . 1177 . 99 ARG CD C 43.191 . . 1178 . 99 ARG N N 120.080 . . 1179 . 100 GLU H H 9.120 . . 1180 . 100 GLU HA H 3.890 . . 1181 . 100 GLU HB2 H 2.039 . . 1182 . 100 GLU HB3 H 1.953 . . 1183 . 100 GLU HG2 H 2.315 . . 1184 . 100 GLU HG3 H 2.315 . . 1185 . 100 GLU C C 176.900 . . 1186 . 100 GLU CA C 57.997 . . 1187 . 100 GLU CB C 30.026 . . 1188 . 100 GLU CG C 36.911 . . 1189 . 100 GLU N N 125.900 . . 1190 . 101 LYS H H 8.000 . . 1191 . 101 LYS HA H 3.846 . . 1192 . 101 LYS HB2 H 1.572 . . 1193 . 101 LYS HB3 H 1.388 . . 1194 . 101 LYS HG2 H 1.205 . . 1195 . 101 LYS HG3 H 1.205 . . 1196 . 101 LYS HD2 H 1.637 . . 1197 . 101 LYS HD3 H 1.455 . . 1198 . 101 LYS HE2 H 2.881 . . 1199 . 101 LYS HE3 H 2.881 . . 1200 . 101 LYS C C 176.626 . . 1201 . 101 LYS CA C 58.444 . . 1202 . 101 LYS CB C 32.368 . . 1203 . 101 LYS CG C 25.466 . . 1204 . 101 LYS CD C 29.457 . . 1205 . 101 LYS CE C 42.053 . . 1206 . 101 LYS N N 123.150 . . 1207 . 102 ASP H H 8.520 . . 1208 . 102 ASP HA H 4.596 . . 1209 . 102 ASP HB2 H 2.746 . . 1210 . 102 ASP HB3 H 2.661 . . 1211 . 102 ASP C C 176.151 . . 1212 . 102 ASP CA C 54.188 . . 1213 . 102 ASP CB C 39.746 . . 1214 . 102 ASP N N 118.530 . . 1215 . 103 TYR H H 7.580 . . 1216 . 103 TYR HA H 3.950 . . 1217 . 103 TYR HB2 H 3.217 . . 1218 . 103 TYR HB3 H 2.837 . . 1219 . 103 TYR HD1 H 6.972 . . 1220 . 103 TYR HD2 H 6.972 . . 1221 . 103 TYR HE1 H 6.665 . . 1222 . 103 TYR HE2 H 6.665 . . 1223 . 103 TYR C C 176.510 . . 1224 . 103 TYR CA C 61.412 . . 1225 . 103 TYR CB C 38.655 . . 1226 . 103 TYR CD1 C 133.152 . . 1227 . 103 TYR CD2 C 133.152 . . 1228 . 103 TYR CE1 C 118.539 . . 1229 . 103 TYR CE2 C 118.539 . . 1230 . 103 TYR N N 119.570 . . 1231 . 104 GLN H H 8.460 . . 1232 . 104 GLN HA H 4.008 . . 1233 . 104 GLN HB2 H 2.014 . . 1234 . 104 GLN HB3 H 1.942 . . 1235 . 104 GLN HG2 H 2.288 . . 1236 . 104 GLN HG3 H 2.288 . . 1237 . 104 GLN HE21 H 7.564 . . 1238 . 104 GLN HE22 H 6.914 . . 1239 . 104 GLN C C 177.046 . . 1240 . 104 GLN CA C 57.439 . . 1241 . 104 GLN CB C 28.909 . . 1242 . 104 GLN CG C 34.015 . . 1243 . 104 GLN N N 118.340 . . 1244 . 104 GLN NE2 N 111.840 . . 1245 . 105 MET H H 7.910 . . 1246 . 105 MET HA H 4.302 . . 1247 . 105 MET HB2 H 2.058 . . 1248 . 105 MET HB3 H 2.058 . . 1249 . 105 MET HG2 H 2.599 . . 1250 . 105 MET HG3 H 2.512 . . 1251 . 105 MET HE H 2.066 . . 1252 . 105 MET C C 177.255 . . 1253 . 105 MET CA C 56.853 . . 1254 . 105 MET CB C 32.346 . . 1255 . 105 MET CG C 32.093 . . 1256 . 105 MET CE C 17.280 . . 1257 . 105 MET N N 118.750 . . 1258 . 106 LYS H H 7.850 . . 1259 . 106 LYS HA H 4.069 . . 1260 . 106 LYS HB2 H 1.488 . . 1261 . 106 LYS HB3 H 1.488 . . 1262 . 106 LYS HG2 H 1.252 . . 1263 . 106 LYS HG3 H 1.135 . . 1264 . 106 LYS HD2 H 1.513 . . 1265 . 106 LYS HD3 H 1.513 . . 1266 . 106 LYS HE2 H 2.855 . . 1267 . 106 LYS HE3 H 2.855 . . 1268 . 106 LYS C C 177.225 . . 1269 . 106 LYS CA C 57.673 . . 1270 . 106 LYS CB C 32.760 . . 1271 . 106 LYS CG C 24.887 . . 1272 . 106 LYS CD C 29.233 . . 1273 . 106 LYS CE C 42.077 . . 1274 . 106 LYS N N 119.880 . . 1275 . 107 PHE H H 8.020 . . 1276 . 107 PHE HA H 4.592 . . 1277 . 107 PHE HB2 H 3.157 . . 1278 . 107 PHE HB3 H 2.775 . . 1279 . 107 PHE HD1 H 7.102 . . 1280 . 107 PHE HD2 H 7.102 . . 1281 . 107 PHE HE1 H 7.272 . . 1282 . 107 PHE HE2 H 7.272 . . 1283 . 107 PHE HZ H 7.272 . . 1284 . 107 PHE C C 176.311 . . 1285 . 107 PHE CA C 58.284 . . 1286 . 107 PHE CB C 39.195 . . 1287 . 107 PHE CD1 C 131.908 . . 1288 . 107 PHE CD2 C 131.908 . . 1289 . 107 PHE CE1 C 131.286 . . 1290 . 107 PHE CE2 C 131.286 . . 1291 . 107 PHE CZ C 129.732 . . 1292 . 107 PHE N N 118.650 . . 1293 . 108 SER H H 8.010 . . 1294 . 108 SER HA H 4.402 . . 1295 . 108 SER HB2 H 3.921 . . 1296 . 108 SER HB3 H 3.921 . . 1297 . 108 SER C C 174.861 . . 1298 . 108 SER CA C 59.141 . . 1299 . 108 SER CB C 63.697 . . 1300 . 108 SER N N 115.620 . . 1301 . 109 GLN H H 8.300 . . 1302 . 109 GLN HA H 4.333 . . 1303 . 109 GLN HB2 H 2.158 . . 1304 . 109 GLN HB3 H 2.031 . . 1305 . 109 GLN HG2 H 2.410 . . 1306 . 109 GLN HG3 H 2.410 . . 1307 . 109 GLN HE21 H 6.880 . . 1308 . 109 GLN HE22 H 7.542 . . 1309 . 109 GLN C C 176.135 . . 1310 . 109 GLN CA C 56.270 . . 1311 . 109 GLN CB C 29.328 . . 1312 . 109 GLN CG C 34.037 . . 1313 . 109 GLN N N 121.270 . . 1314 . 109 GLN NE2 N 112.017 . . 1315 . 110 GLN H H 8.300 . . 1316 . 110 GLN HA H 4.332 . . 1317 . 110 GLN HB2 H 2.156 . . 1318 . 110 GLN HB3 H 2.040 . . 1319 . 110 GLN HG2 H 2.413 . . 1320 . 110 GLN HG3 H 2.413 . . 1321 . 110 GLN HE21 H 6.893 . . 1322 . 110 GLN HE22 H 7.542 . . 1323 . 110 GLN C C 176.105 . . 1324 . 110 GLN CA C 56.194 . . 1325 . 110 GLN CB C 29.497 . . 1326 . 110 GLN CG C 33.876 . . 1327 . 110 GLN N N 120.480 . . 1328 . 110 GLN NE2 N 112.260 . . 1329 . 111 ARG H H 8.380 . . 1330 . 111 ARG HA H 4.391 . . 1331 . 111 ARG HB2 H 1.923 . . 1332 . 111 ARG HB3 H 1.806 . . 1333 . 111 ARG HG2 H 1.660 . . 1334 . 111 ARG HG3 H 1.660 . . 1335 . 111 ARG HD2 H 3.217 . . 1336 . 111 ARG HD3 H 3.217 . . 1337 . 111 ARG C C 176.760 . . 1338 . 111 ARG CA C 56.276 . . 1339 . 111 ARG CB C 30.835 . . 1340 . 111 ARG CG C 27.203 . . 1341 . 111 ARG CD C 43.343 . . 1342 . 111 ARG N N 121.980 . . 1343 . 112 GLY H H 8.450 . . 1344 . 112 GLY HA2 H 4.008 . . 1345 . 112 GLY HA3 H 4.008 . . 1346 . 112 GLY C C 173.656 . . 1347 . 112 GLY CA C 45.422 . . 1348 . 112 GLY N N 110.290 . . 1349 . 113 GLY H H 8.010 . . 1350 . 113 GLY HA2 H 3.802 . . 1351 . 113 GLY HA3 H 3.802 . . 1352 . 113 GLY C C 179.186 . . 1353 . 113 GLY CA C 46.034 . . 1354 . 113 GLY N N 114.960 . . stop_ save_