data_6738 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Sep15 from Drosophila melanogaster ; _BMRB_accession_number 6738 _BMRB_flat_file_name bmr6738.str _Entry_type original _Submission_date 2005-07-21 _Accession_date 2005-08-11 _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 Ferguson A. D. . 2 Labunskyy V. M. . 3 Fomenko D. E. . 4 Arac D. . . 5 Chelliah Y. . . 6 Amezcua C. A. . 7 Rizo J. . . 8 Gladyshev V. N. . 9 Deisenhofer J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 683 "13C chemical shifts" 496 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-12-28 original author . stop_ _Original_release_date 2005-12-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structures of the selenoproteins Sep15 and SelM reveal redox activity of new thioredoxin-like family. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16319061 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ferguson A. D. . 2 Labunskyy V. M. . 3 Fomenko D. E. . 4 Arac D. . . 5 Chelliah Y. . . 6 Amezcua C. A. . 7 Rizo J. . . 8 Gladyshev V. N. . 9 Deisenhofer J. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2005 _Details . loop_ _Keyword Selenoprotein Redox stop_ save_ ################################## # Molecular system description # ################################## save_system_Selenoprotein_Sep15 _Saveframe_category molecular_system _Mol_system_name 'Selenoprotein Sep15' _Abbreviation_common 'Selenoprotein Sep15' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Selenoprotein Sep15' $Selenoprotein_Sep15 stop_ _System_molecular_weight . _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_Selenoprotein_Sep15 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Selenoprotein Sep15' _Abbreviation_common 'Selenoprotein Sep15' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; MASHHHHHHLDQQPAAQRTY AKAILEVCTCKFRAYPQIQA FIQSGRPAKFPNLQIKYVRG LDPVVKLLDASGKVQETLSI TKWNTDTVEEFFETHLAKDG AGKNSYSVVEDADGDDDEDY LRTNRI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 LEU 11 ASP 12 GLN 13 GLN 14 PRO 15 ALA 16 ALA 17 GLN 18 ARG 19 THR 20 TYR 21 ALA 22 LYS 23 ALA 24 ILE 25 LEU 26 GLU 27 VAL 28 CYS 29 THR 30 CYS 31 LYS 32 PHE 33 ARG 34 ALA 35 TYR 36 PRO 37 GLN 38 ILE 39 GLN 40 ALA 41 PHE 42 ILE 43 GLN 44 SER 45 GLY 46 ARG 47 PRO 48 ALA 49 LYS 50 PHE 51 PRO 52 ASN 53 LEU 54 GLN 55 ILE 56 LYS 57 TYR 58 VAL 59 ARG 60 GLY 61 LEU 62 ASP 63 PRO 64 VAL 65 VAL 66 LYS 67 LEU 68 LEU 69 ASP 70 ALA 71 SER 72 GLY 73 LYS 74 VAL 75 GLN 76 GLU 77 THR 78 LEU 79 SER 80 ILE 81 THR 82 LYS 83 TRP 84 ASN 85 THR 86 ASP 87 THR 88 VAL 89 GLU 90 GLU 91 PHE 92 PHE 93 GLU 94 THR 95 HIS 96 LEU 97 ALA 98 LYS 99 ASP 100 GLY 101 ALA 102 GLY 103 LYS 104 ASN 105 SER 106 TYR 107 SER 108 VAL 109 VAL 110 GLU 111 ASP 112 ALA 113 ASP 114 GLY 115 ASP 116 ASP 117 ASP 118 GLU 119 ASP 120 TYR 121 LEU 122 ARG 123 THR 124 ASN 125 ARG 126 ILE 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 REF XP_002094982 'GE19924 [Drosophila yakuba]' 92.86 178 98.29 99.15 3.92e-63 REF XP_002076553 'GD17646 [Drosophila simulans]' 92.86 178 98.29 100.00 4.75e-63 REF XP_002030922 'GM25714 [Drosophila sechellia]' 92.86 178 98.29 100.00 3.52e-63 REF NP_649000 'CG7484 CG7484-PB [Drosophila melanogaster]' 92.86 178 100.00 100.00 3.18e-64 GenBank EDX15740 'GD17646 [Drosophila simulans]' 92.86 178 98.29 100.00 4.75e-63 GenBank EDW94694 'GE19924 [Drosophila yakuba]' 92.86 178 98.29 99.15 3.92e-63 GenBank EDW41908 'GM25714 [Drosophila sechellia]' 92.86 178 98.29 100.00 3.52e-63 GenBank AAM51078 'SD16138p [Drosophila melanogaster]' 92.86 178 100.00 100.00 3.18e-64 GenBank AAF49314 'CG7484-PB [Drosophila melanogaster]' 92.86 178 100.00 100.00 3.18e-64 EMBL CAL26591 'CG7484 [Drosophila melanogaster]' 92.86 178 100.00 100.00 4.87e-64 EMBL CAL26585 'CG7484 [Drosophila melanogaster]' 92.86 178 99.15 99.15 9.82e-64 EMBL CAL26581 'CG7484 [Drosophila melanogaster]' 92.86 178 100.00 100.00 3.18e-64 EMBL CAL26580 'CG7484 [Drosophila melanogaster]' 92.86 178 100.00 100.00 3.18e-64 EMBL CAL26579 'CG7484 [Drosophila melanogaster]' 92.86 178 100.00 100.00 3.18e-64 PDB 2A4H 'Solution Structure Of Sep15 From Drosophila Melanogaster' 100.00 126 100.00 100.00 5.24e-70 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Selenoprotein_Sep15 'Drosophila melanogaster' 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 $Selenoprotein_Sep15 '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 $Selenoprotein_Sep15 1 mM '[U-15N; U-13C]' 'phosphate buffer' 50 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1 loop_ _Vendor _Address _Electronic_address Delaglio . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2 loop_ _Vendor _Address _Electronic_address Johnson . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.0 loop_ _Vendor _Address _Electronic_address Nilges . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_2D_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $sample_1 save_ save_2D_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 . pH temperature 298 . K 'ionic strength' 50 . mM pressure 1 . atm 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 . direct . . . 1.0 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Selenoprotein Sep15' _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 . 11 ASP HA H 4.583 . 1 2 . 11 ASP HB2 H 2.727 . 2 3 . 11 ASP HB3 H 2.655 . 2 4 . 11 ASP C C 176.030 . 1 5 . 11 ASP CB C 41.113 . 1 6 . 12 GLN H H 8.145 . 1 7 . 12 GLN HA H 4.350 . 1 8 . 12 GLN HB2 H 2.139 . 2 9 . 12 GLN HB3 H 1.969 . 2 10 . 12 GLN HG2 H 2.320 . 1 11 . 12 GLN HG3 H 2.320 . 1 12 . 12 GLN HE21 H 6.801 . 2 13 . 12 GLN HE22 H 7.501 . 2 14 . 12 GLN C C 175.618 . 1 15 . 12 GLN CA C 55.592 . 1 16 . 12 GLN CB C 29.719 . 1 17 . 12 GLN CG C 33.860 . 1 18 . 12 GLN N N 119.598 . 1 19 . 12 GLN NE2 N 112.108 . 1 20 . 13 GLN H H 8.336 . 1 21 . 13 GLN HA H 4.572 . 1 22 . 13 GLN HB2 H 2.092 . 2 23 . 13 GLN HB3 H 1.937 . 2 24 . 13 GLN HG2 H 2.395 . 1 25 . 13 GLN HG3 H 2.395 . 1 26 . 13 GLN HE21 H 6.822 . 2 27 . 13 GLN HE22 H 7.529 . 2 28 . 13 GLN CA C 53.760 . 1 29 . 13 GLN CB C 29.006 . 1 30 . 13 GLN CG C 34.505 . 1 31 . 13 GLN N N 122.318 . 1 32 . 13 GLN NE2 N 112.326 . 1 33 . 14 PRO HA H 4.400 . 1 34 . 14 PRO HB2 H 2.289 . 2 35 . 14 PRO HB3 H 1.901 . 2 36 . 14 PRO HG2 H 2.001 . 2 37 . 14 PRO HG3 H 1.992 . 2 38 . 14 PRO HD2 H 3.764 . 2 39 . 14 PRO HD3 H 3.640 . 2 40 . 14 PRO C C 176.696 . 1 41 . 14 PRO CA C 63.296 . 1 42 . 14 PRO CB C 32.266 . 1 43 . 14 PRO CG C 27.415 . 1 44 . 14 PRO CD C 50.569 . 1 45 . 15 ALA H H 8.380 . 1 46 . 15 ALA HA H 4.295 . 1 47 . 15 ALA HB H 1.402 . 1 48 . 15 ALA CA C 52.589 . 1 49 . 15 ALA CB C 19.393 . 1 50 . 15 ALA N N 124.014 . 1 51 . 16 ALA H H 8.214 . 1 52 . 16 ALA HA H 4.261 . 1 53 . 16 ALA HB H 1.370 . 1 54 . 16 ALA C C 177.569 . 1 55 . 16 ALA CA C 52.627 . 1 56 . 16 ALA CB C 19.284 . 1 57 . 16 ALA N N 122.595 . 1 58 . 17 GLN H H 8.221 . 1 59 . 17 GLN HA H 4.295 . 1 60 . 17 GLN HB2 H 2.013 . 2 61 . 17 GLN HB3 H 1.877 . 2 62 . 17 GLN HG2 H 2.261 . 1 63 . 17 GLN HG3 H 2.261 . 1 64 . 17 GLN HE21 H 6.765 . 2 65 . 17 GLN HE22 H 7.465 . 2 66 . 17 GLN CA C 55.480 . 1 67 . 17 GLN CB C 29.477 . 1 68 . 17 GLN CG C 33.775 . 1 69 . 17 GLN N N 119.121 . 1 70 . 17 GLN NE2 N 112.326 . 1 71 . 18 ARG H H 8.214 . 1 72 . 18 ARG HA H 4.262 . 1 73 . 18 ARG HB2 H 1.673 . 1 74 . 18 ARG HB3 H 1.673 . 1 75 . 18 ARG HG2 H 1.448 . 1 76 . 18 ARG HG3 H 1.448 . 1 77 . 18 ARG HD2 H 3.124 . 1 78 . 18 ARG HD3 H 3.124 . 1 79 . 18 ARG C C 175.119 . 1 80 . 18 ARG CA C 56.097 . 1 81 . 18 ARG CB C 31.157 . 1 82 . 18 ARG CG C 27.007 . 1 83 . 18 ARG CD C 43.438 . 1 84 . 18 ARG N N 122.595 . 1 85 . 19 THR H H 7.754 . 1 86 . 19 THR HA H 4.697 . 1 87 . 19 THR HB H 3.825 . 1 88 . 19 THR HG2 H 1.010 . 1 89 . 19 THR C C 173.855 . 1 90 . 19 THR CA C 60.094 . 1 91 . 19 THR CB C 71.258 . 1 92 . 19 THR CG2 C 22.005 . 1 93 . 19 THR N N 113.441 . 1 94 . 20 TYR H H 8.550 . 1 95 . 20 TYR HA H 4.813 . 1 96 . 20 TYR HB2 H 3.555 . 2 97 . 20 TYR HB3 H 2.539 . 2 98 . 20 TYR HD1 H 7.073 . 1 99 . 20 TYR HD2 H 7.073 . 1 100 . 20 TYR HE1 H 6.673 . 1 101 . 20 TYR HE2 H 6.673 . 1 102 . 20 TYR C C 174.854 . 1 103 . 20 TYR CA C 57.748 . 1 104 . 20 TYR CB C 40.413 . 1 105 . 20 TYR CD1 C 133.198 . 1 106 . 20 TYR CD2 C 133.198 . 1 107 . 20 TYR CE1 C 118.460 . 1 108 . 20 TYR CE2 C 118.460 . 1 109 . 20 TYR N N 120.828 . 1 110 . 21 ALA H H 8.174 . 1 111 . 21 ALA HA H 4.180 . 1 112 . 21 ALA HB H 1.420 . 1 113 . 21 ALA C C 178.041 . 1 114 . 21 ALA CA C 54.595 . 1 115 . 21 ALA CB C 19.579 . 1 116 . 21 ALA N N 123.986 . 1 117 . 22 LYS H H 7.902 . 1 118 . 22 LYS HA H 4.930 . 1 119 . 22 LYS HB2 H 1.936 . 2 120 . 22 LYS HB3 H 1.814 . 2 121 . 22 LYS HG2 H 1.407 . 2 122 . 22 LYS HG3 H 1.338 . 2 123 . 22 LYS HD2 H 1.641 . 1 124 . 22 LYS HD3 H 1.641 . 1 125 . 22 LYS HE2 H 2.916 . 1 126 . 22 LYS HE3 H 2.916 . 1 127 . 22 LYS C C 173.489 . 1 128 . 22 LYS CA C 54.949 . 1 129 . 22 LYS CB C 37.517 . 1 130 . 22 LYS CG C 25.736 . 1 131 . 22 LYS CD C 29.840 . 1 132 . 22 LYS CE C 42.426 . 1 133 . 22 LYS N N 113.248 . 1 134 . 23 ALA H H 8.505 . 1 135 . 23 ALA HA H 5.620 . 1 136 . 23 ALA HB H 1.330 . 1 137 . 23 ALA C C 175.578 . 1 138 . 23 ALA CA C 50.318 . 1 139 . 23 ALA CB C 25.176 . 1 140 . 23 ALA N N 120.447 . 1 141 . 24 ILE H H 9.181 . 1 142 . 24 ILE HA H 5.036 . 1 143 . 24 ILE HB H 1.610 . 1 144 . 24 ILE HG12 H 1.464 . 1 145 . 24 ILE HG13 H 1.020 . 1 146 . 24 ILE HG2 H 0.820 . 1 147 . 24 ILE HD1 H 0.804 . 1 148 . 24 ILE C C 174.374 . 1 149 . 24 ILE CA C 59.691 . 1 150 . 24 ILE CB C 42.022 . 1 151 . 24 ILE CG1 C 27.602 . 2 152 . 24 ILE CG2 C 18.474 . 1 153 . 24 ILE CD1 C 14.183 . 1 154 . 24 ILE N N 121.237 . 1 155 . 25 LEU H H 9.001 . 1 156 . 25 LEU HA H 5.190 . 1 157 . 25 LEU HB2 H 1.955 . 2 158 . 25 LEU HB3 H 1.357 . 2 159 . 25 LEU HG H 1.605 . 1 160 . 25 LEU HD1 H 0.810 . 2 161 . 25 LEU HD2 H 0.845 . 2 162 . 25 LEU C C 174.225 . 1 163 . 25 LEU CA C 54.094 . 1 164 . 25 LEU CB C 44.453 . 1 165 . 25 LEU CG C 28.534 . 1 166 . 25 LEU CD1 C 24.803 . 1 167 . 25 LEU CD2 C 24.670 . 1 168 . 25 LEU N N 130.936 . 1 169 . 26 GLU H H 8.924 . 1 170 . 26 GLU HA H 5.490 . 1 171 . 26 GLU HB2 H 1.900 . 2 172 . 26 GLU HB3 H 1.725 . 2 173 . 26 GLU HG2 H 2.131 . 2 174 . 26 GLU HG3 H 1.904 . 2 175 . 26 GLU C C 175.009 . 1 176 . 26 GLU CA C 54.450 . 1 177 . 26 GLU CB C 31.519 . 1 178 . 26 GLU CG C 36.970 . 1 179 . 26 GLU N N 126.523 . 1 180 . 27 VAL H H 8.282 . 1 181 . 27 VAL HA H 4.315 . 1 182 . 27 VAL HB H 2.060 . 1 183 . 27 VAL HG1 H 0.998 . 2 184 . 27 VAL HG2 H 0.820 . 2 185 . 27 VAL C C 171.724 . 1 186 . 27 VAL CA C 59.671 . 1 187 . 27 VAL CB C 34.493 . 1 188 . 27 VAL CG1 C 21.258 . 1 189 . 27 VAL CG2 C 19.393 . 1 190 . 27 VAL N N 116.641 . 1 191 . 28 CYS H H 8.230 . 1 192 . 28 CYS HA H 5.218 . 1 193 . 28 CYS HB2 H 3.780 . 2 194 . 28 CYS HB3 H 2.857 . 2 195 . 28 CYS CA C 60.458 . 1 196 . 28 CYS CB C 46.631 . 1 197 . 28 CYS N N 124.126 . 1 198 . 29 THR HA H 3.780 . 1 199 . 29 THR HB H 2.500 . 1 200 . 29 THR HG2 H 0.710 . 1 201 . 29 THR C C 176.548 . 1 202 . 29 THR CA C 65.083 . 1 203 . 29 THR CB C 67.153 . 1 204 . 29 THR CG2 C 22.005 . 1 205 . 30 CYS H H 8.386 . 1 206 . 30 CYS HA H 4.760 . 1 207 . 30 CYS HB2 H 3.580 . 2 208 . 30 CYS HB3 H 3.242 . 2 209 . 30 CYS C C 174.533 . 1 210 . 30 CYS CA C 60.583 . 1 211 . 30 CYS CB C 39.461 . 1 212 . 30 CYS N N 116.745 . 1 213 . 31 LYS H H 8.007 . 1 214 . 31 LYS HA H 4.910 . 1 215 . 31 LYS HB2 H 2.520 . 2 216 . 31 LYS HB3 H 2.046 . 2 217 . 31 LYS HG2 H 1.890 . 2 218 . 31 LYS HG3 H 1.628 . 2 219 . 31 LYS HD2 H 1.887 . 2 220 . 31 LYS HD3 H 1.736 . 2 221 . 31 LYS HE2 H 2.956 . 1 222 . 31 LYS HE3 H 2.956 . 1 223 . 31 LYS CA C 54.688 . 1 224 . 31 LYS CB C 32.640 . 1 225 . 31 LYS CG C 25.550 . 1 226 . 31 LYS CD C 28.721 . 1 227 . 31 LYS CE C 42.532 . 1 228 . 31 LYS N N 121.526 . 1 229 . 32 PHE H H 7.668 . 1 230 . 32 PHE HA H 4.560 . 1 231 . 32 PHE HB2 H 3.310 . 1 232 . 32 PHE HB3 H 3.310 . 1 233 . 32 PHE HD1 H 7.223 . 1 234 . 32 PHE HD2 H 7.223 . 1 235 . 32 PHE HE1 H 7.141 . 1 236 . 32 PHE HE2 H 7.141 . 1 237 . 32 PHE C C 177.617 . 1 238 . 32 PHE CA C 57.618 . 1 239 . 32 PHE CB C 36.635 . 1 240 . 32 PHE CD1 C 129.094 . 1 241 . 32 PHE CD2 C 129.094 . 1 242 . 32 PHE CE1 C 128.612 . 1 243 . 32 PHE CE2 C 128.612 . 1 244 . 32 PHE N N 121.299 . 1 245 . 33 ARG H H 8.334 . 1 246 . 33 ARG HA H 4.090 . 1 247 . 33 ARG HB2 H 1.849 . 1 248 . 33 ARG HB3 H 1.849 . 1 249 . 33 ARG HG2 H 1.719 . 2 250 . 33 ARG HG3 H 1.650 . 2 251 . 33 ARG HD2 H 3.239 . 1 252 . 33 ARG HD3 H 3.239 . 1 253 . 33 ARG C C 177.626 . 1 254 . 33 ARG CA C 58.385 . 1 255 . 33 ARG CB C 29.467 . 1 256 . 33 ARG CG C 27.415 . 1 257 . 33 ARG CD C 43.309 . 1 258 . 33 ARG N N 116.021 . 1 259 . 34 ALA H H 7.231 . 1 260 . 34 ALA HA H 4.055 . 1 261 . 34 ALA HB H 1.041 . 1 262 . 34 ALA C C 177.092 . 1 263 . 34 ALA CA C 53.249 . 1 264 . 34 ALA CB C 19.206 . 1 265 . 34 ALA N N 120.069 . 1 266 . 35 TYR H H 7.433 . 1 267 . 35 TYR HA H 5.411 . 1 268 . 35 TYR HB2 H 3.156 . 2 269 . 35 TYR HB3 H 2.874 . 2 270 . 35 TYR HD1 H 7.294 . 1 271 . 35 TYR HD2 H 7.294 . 1 272 . 35 TYR HE1 H 6.874 . 1 273 . 35 TYR HE2 H 6.874 . 1 274 . 35 TYR CA C 54.879 . 1 275 . 35 TYR CB C 38.199 . 1 276 . 35 TYR CD1 C 133.649 . 1 277 . 35 TYR CD2 C 133.649 . 1 278 . 35 TYR CE1 C 117.713 . 1 279 . 35 TYR CE2 C 117.713 . 1 280 . 35 TYR N N 114.287 . 1 281 . 36 PRO HA H 4.590 . 1 282 . 36 PRO HB2 H 2.455 . 2 283 . 36 PRO HB3 H 2.101 . 2 284 . 36 PRO HG2 H 2.118 . 2 285 . 36 PRO HG3 H 2.089 . 2 286 . 36 PRO HD2 H 3.757 . 2 287 . 36 PRO HD3 H 3.439 . 2 288 . 36 PRO C C 179.806 . 1 289 . 36 PRO CA C 64.923 . 1 290 . 36 PRO CB C 31.876 . 1 291 . 36 PRO CG C 27.593 . 1 292 . 36 PRO CD C 50.776 . 1 293 . 37 GLN H H 9.542 . 1 294 . 37 GLN HA H 4.200 . 1 295 . 37 GLN HB2 H 2.392 . 2 296 . 37 GLN HB3 H 2.253 . 2 297 . 37 GLN HG2 H 2.813 . 2 298 . 37 GLN HG3 H 2.539 . 2 299 . 37 GLN HE21 H 6.891 . 2 300 . 37 GLN HE22 H 7.621 . 2 301 . 37 GLN C C 179.591 . 1 302 . 37 GLN CA C 58.367 . 1 303 . 37 GLN CB C 27.974 . 1 304 . 37 GLN CG C 34.004 . 1 305 . 37 GLN N N 118.428 . 1 306 . 37 GLN NE2 N 112.545 . 1 307 . 38 ILE H H 7.800 . 1 308 . 38 ILE HA H 3.928 . 1 309 . 38 ILE HB H 2.350 . 1 310 . 38 ILE HG12 H 1.250 . 1 311 . 38 ILE HG13 H 1.250 . 1 312 . 38 ILE HG2 H 0.972 . 1 313 . 38 ILE HD1 H 0.665 . 1 314 . 38 ILE C C 177.633 . 1 315 . 38 ILE CA C 62.247 . 1 316 . 38 ILE CB C 35.877 . 1 317 . 38 ILE CG1 C 28.721 . 2 318 . 38 ILE CG2 C 18.087 . 1 319 . 38 ILE CD1 C 10.329 . 1 320 . 38 ILE N N 120.831 . 1 321 . 39 GLN H H 7.395 . 1 322 . 39 GLN HA H 3.020 . 1 323 . 39 GLN HB2 H 2.118 . 2 324 . 39 GLN HB3 H 1.301 . 2 325 . 39 GLN HG2 H 1.887 . 2 326 . 39 GLN HG3 H 1.550 . 2 327 . 39 GLN HE21 H 6.696 . 2 328 . 39 GLN HE22 H 7.275 . 2 329 . 39 GLN C C 177.171 . 1 330 . 39 GLN CA C 59.878 . 1 331 . 39 GLN CB C 27.612 . 1 332 . 39 GLN CG C 32.825 . 1 333 . 39 GLN N N 121.099 . 1 334 . 39 GLN NE2 N 109.704 . 1 335 . 40 ALA H H 8.193 . 1 336 . 40 ALA HA H 4.125 . 1 337 . 40 ALA HB H 1.510 . 1 338 . 40 ALA C C 179.880 . 1 339 . 40 ALA CA C 54.840 . 1 340 . 40 ALA CB C 18.460 . 1 341 . 40 ALA N N 118.488 . 1 342 . 41 PHE H H 7.445 . 1 343 . 41 PHE HA H 4.115 . 1 344 . 41 PHE HB2 H 3.424 . 1 345 . 41 PHE HB3 H 3.424 . 1 346 . 41 PHE HD1 H 7.273 . 1 347 . 41 PHE HD2 H 7.273 . 1 348 . 41 PHE HE1 H 7.319 . 1 349 . 41 PHE HE2 H 7.319 . 1 350 . 41 PHE C C 176.311 . 1 351 . 41 PHE CA C 61.930 . 1 352 . 41 PHE CB C 39.241 . 1 353 . 41 PHE CD1 C 131.892 . 1 354 . 41 PHE CD2 C 131.892 . 1 355 . 41 PHE CE1 C 130.773 . 1 356 . 41 PHE CE2 C 130.773 . 1 357 . 41 PHE N N 116.957 . 1 358 . 42 ILE H H 7.809 . 1 359 . 42 ILE HA H 3.353 . 1 360 . 42 ILE HB H 1.833 . 1 361 . 42 ILE HG12 H 2.140 . 1 362 . 42 ILE HG13 H 1.152 . 1 363 . 42 ILE HG2 H 1.166 . 1 364 . 42 ILE HD1 H 1.141 . 1 365 . 42 ILE C C 178.078 . 1 366 . 42 ILE CA C 65.475 . 1 367 . 42 ILE CB C 39.355 . 1 368 . 42 ILE CG1 C 30.027 . 2 369 . 42 ILE CG2 C 17.527 . 1 370 . 42 ILE CD1 C 15.288 . 1 371 . 42 ILE N N 117.612 . 1 372 . 43 GLN H H 8.720 . 1 373 . 43 GLN HA H 4.320 . 1 374 . 43 GLN HB2 H 2.059 . 1 375 . 43 GLN HB3 H 2.059 . 1 376 . 43 GLN HG2 H 2.418 . 1 377 . 43 GLN HG3 H 2.418 . 1 378 . 43 GLN HE21 H 6.951 . 2 379 . 43 GLN HE22 H 7.476 . 2 380 . 43 GLN C C 176.580 . 1 381 . 43 GLN CA C 56.958 . 1 382 . 43 GLN CB C 27.415 . 1 383 . 43 GLN CG C 34.500 . 1 384 . 43 GLN N N 118.422 . 1 385 . 43 GLN NE2 N 110.797 . 1 386 . 44 SER H H 7.832 . 1 387 . 44 SER HA H 4.509 . 1 388 . 44 SER HB2 H 4.273 . 2 389 . 44 SER HB3 H 4.089 . 2 390 . 44 SER C C 174.823 . 1 391 . 44 SER CA C 58.924 . 1 392 . 44 SER CB C 65.288 . 1 393 . 44 SER N N 112.100 . 1 394 . 45 GLY H H 8.116 . 1 395 . 45 GLY HA2 H 4.087 . 1 396 . 45 GLY HA3 H 4.087 . 1 397 . 45 GLY C C 174.976 . 1 398 . 45 GLY CA C 45.193 . 1 399 . 45 GLY N N 107.333 . 1 400 . 46 ARG H H 7.813 . 1 401 . 46 ARG HA H 4.025 . 1 402 . 46 ARG HB2 H 1.636 . 2 403 . 46 ARG HB3 H 1.283 . 2 404 . 46 ARG HG2 H 1.814 . 2 405 . 46 ARG HG3 H 1.721 . 2 406 . 46 ARG HD2 H 3.309 . 2 407 . 46 ARG HD3 H 3.074 . 2 408 . 46 ARG CA C 59.505 . 1 409 . 46 ARG CB C 28.907 . 1 410 . 46 ARG CG C 28.534 . 1 411 . 46 ARG CD C 44.019 . 1 412 . 46 ARG N N 120.455 . 1 413 . 47 PRO HA H 4.170 . 1 414 . 47 PRO HB2 H 2.259 . 2 415 . 47 PRO HB3 H 1.821 . 2 416 . 47 PRO HG2 H 2.053 . 2 417 . 47 PRO HG3 H 1.230 . 2 418 . 47 PRO HD2 H 3.320 . 1 419 . 47 PRO HD3 H 3.320 . 1 420 . 47 PRO C C 177.605 . 1 421 . 47 PRO CA C 66.772 . 1 422 . 47 PRO CB C 30.791 . 1 423 . 47 PRO CG C 29.094 . 1 424 . 47 PRO CD C 50.557 . 1 425 . 48 ALA H H 7.257 . 1 426 . 48 ALA HA H 4.034 . 1 427 . 48 ALA HB H 1.420 . 1 428 . 48 ALA C C 178.479 . 1 429 . 48 ALA CA C 53.721 . 1 430 . 48 ALA CB C 18.459 . 1 431 . 48 ALA N N 116.668 . 1 432 . 49 LYS H H 7.513 . 1 433 . 49 LYS HA H 3.900 . 1 434 . 49 LYS HB2 H 1.201 . 1 435 . 49 LYS HB3 H 1.201 . 1 436 . 49 LYS HG2 H 1.146 . 1 437 . 49 LYS HG3 H 1.146 . 1 438 . 49 LYS HD2 H 1.538 . 1 439 . 49 LYS HD3 H 1.538 . 1 440 . 49 LYS HE2 H 2.850 . 1 441 . 49 LYS HE3 H 2.850 . 1 442 . 49 LYS C C 175.363 . 1 443 . 49 LYS CA C 57.087 . 1 444 . 49 LYS CB C 31.860 . 1 445 . 49 LYS CG C 24.879 . 1 446 . 49 LYS CD C 29.281 . 1 447 . 49 LYS CE C 41.967 . 1 448 . 49 LYS N N 115.661 . 1 449 . 50 PHE H H 7.627 . 1 450 . 50 PHE HA H 5.230 . 1 451 . 50 PHE HB2 H 3.085 . 2 452 . 50 PHE HB3 H 2.770 . 2 453 . 50 PHE HD1 H 7.368 . 1 454 . 50 PHE HD2 H 7.368 . 1 455 . 50 PHE HE1 H 7.612 . 1 456 . 50 PHE HE2 H 7.612 . 1 457 . 50 PHE CA C 53.718 . 1 458 . 50 PHE CB C 40.475 . 1 459 . 50 PHE CD1 C 132.639 . 1 460 . 50 PHE CD2 C 132.639 . 1 461 . 50 PHE CE1 C 130.030 . 1 462 . 50 PHE CE2 C 130.030 . 1 463 . 50 PHE N N 117.237 . 1 464 . 51 PRO HA H 4.460 . 1 465 . 51 PRO HB2 H 2.410 . 2 466 . 51 PRO HB3 H 1.931 . 2 467 . 51 PRO HG2 H 2.041 . 1 468 . 51 PRO HG3 H 2.041 . 1 469 . 51 PRO HD2 H 3.950 . 2 470 . 51 PRO HD3 H 3.670 . 2 471 . 51 PRO C C 176.937 . 1 472 . 51 PRO CA C 64.736 . 1 473 . 51 PRO CB C 32.080 . 1 474 . 51 PRO CG C 27.621 . 1 475 . 51 PRO CD C 50.740 . 1 476 . 52 ASN H H 8.753 . 1 477 . 52 ASN HA H 4.907 . 1 478 . 52 ASN HB2 H 3.213 . 1 479 . 52 ASN HB3 H 3.213 . 1 480 . 52 ASN HD21 H 7.176 . 2 481 . 52 ASN HD22 H 7.445 . 2 482 . 52 ASN CA C 52.573 . 1 483 . 52 ASN CB C 36.393 . 1 484 . 52 ASN N N 111.451 . 1 485 . 52 ASN ND2 N 112.545 . 1 486 . 53 LEU H H 7.661 . 1 487 . 53 LEU HA H 4.950 . 1 488 . 53 LEU HB2 H 2.296 . 2 489 . 53 LEU HB3 H 0.615 . 2 490 . 53 LEU HG H 1.161 . 1 491 . 53 LEU HD1 H 0.349 . 2 492 . 53 LEU HD2 H 0.565 . 2 493 . 53 LEU C C 174.806 . 1 494 . 53 LEU CA C 53.534 . 1 495 . 53 LEU CB C 44.393 . 1 496 . 53 LEU CG C 27.602 . 1 497 . 53 LEU CD1 C 24.057 . 1 498 . 53 LEU CD2 C 26.296 . 1 499 . 53 LEU N N 121.299 . 1 500 . 54 GLN H H 8.749 . 1 501 . 54 GLN HA H 4.750 . 1 502 . 54 GLN HB2 H 2.014 . 2 503 . 54 GLN HB3 H 1.926 . 2 504 . 54 GLN HG2 H 2.380 . 2 505 . 54 GLN HG3 H 2.119 . 2 506 . 54 GLN HE21 H 6.779 . 2 507 . 54 GLN HE22 H 7.520 . 2 508 . 54 GLN C C 173.820 . 1 509 . 54 GLN CA C 53.907 . 1 510 . 54 GLN CB C 31.843 . 1 511 . 54 GLN CG C 33.929 . 1 512 . 54 GLN N N 127.388 . 1 513 . 54 GLN NE2 N 110.360 . 1 514 . 55 ILE H H 8.720 . 1 515 . 55 ILE HA H 4.740 . 1 516 . 55 ILE HB H 1.800 . 1 517 . 55 ILE HG12 H 1.550 . 1 518 . 55 ILE HG13 H 1.295 . 1 519 . 55 ILE HG2 H 0.555 . 1 520 . 55 ILE HD1 H 0.910 . 1 521 . 55 ILE C C 174.979 . 1 522 . 55 ILE CA C 59.743 . 1 523 . 55 ILE CB C 37.541 . 1 524 . 55 ILE CG1 C 27.975 . 2 525 . 55 ILE CG2 C 17.325 . 1 526 . 55 ILE CD1 C 13.235 . 1 527 . 55 ILE N N 125.894 . 1 528 . 56 LYS H H 9.156 . 1 529 . 56 LYS HA H 4.520 . 1 530 . 56 LYS HB2 H 1.630 . 2 531 . 56 LYS HB3 H 1.370 . 2 532 . 56 LYS HG2 H 1.307 . 2 533 . 56 LYS HG3 H 1.163 . 2 534 . 56 LYS HD2 H 1.580 . 1 535 . 56 LYS HD3 H 1.580 . 1 536 . 56 LYS HE2 H 2.860 . 1 537 . 56 LYS HE3 H 2.860 . 1 538 . 56 LYS C C 173.630 . 1 539 . 56 LYS CA C 54.334 . 1 540 . 56 LYS CB C 36.573 . 1 541 . 56 LYS CG C 24.990 . 1 542 . 56 LYS CD C 29.510 . 1 543 . 56 LYS CE C 42.103 . 1 544 . 56 LYS N N 130.540 . 1 545 . 57 TYR H H 8.405 . 1 546 . 57 TYR HA H 5.741 . 1 547 . 57 TYR HB2 H 3.230 . 2 548 . 57 TYR HB3 H 2.820 . 2 549 . 57 TYR HD1 H 7.167 . 1 550 . 57 TYR HD2 H 7.167 . 1 551 . 57 TYR HE1 H 6.718 . 1 552 . 57 TYR HE2 H 6.718 . 1 553 . 57 TYR C C 177.077 . 1 554 . 57 TYR CA C 56.362 . 1 555 . 57 TYR CB C 37.268 . 1 556 . 57 TYR CD1 C 132.452 . 1 557 . 57 TYR CD2 C 132.452 . 1 558 . 57 TYR CE1 C 117.713 . 1 559 . 57 TYR CE2 C 117.713 . 1 560 . 57 TYR N N 124.857 . 1 561 . 58 VAL H H 7.897 . 1 562 . 58 VAL HA H 4.590 . 1 563 . 58 VAL HB H 2.055 . 1 564 . 58 VAL HG1 H 0.680 . 2 565 . 58 VAL HG2 H 0.845 . 2 566 . 58 VAL C C 175.458 . 1 567 . 58 VAL CA C 59.717 . 1 568 . 58 VAL CB C 35.450 . 1 569 . 58 VAL CG1 C 19.392 . 1 570 . 58 VAL CG2 C 21.635 . 1 571 . 58 VAL N N 120.438 . 1 572 . 59 ARG H H 8.472 . 1 573 . 59 ARG HA H 4.440 . 1 574 . 59 ARG HB2 H 1.865 . 2 575 . 59 ARG HB3 H 1.766 . 2 576 . 59 ARG HG2 H 1.719 . 2 577 . 59 ARG HG3 H 1.627 . 2 578 . 59 ARG HD2 H 3.210 . 1 579 . 59 ARG HD3 H 3.210 . 1 580 . 59 ARG C C 177.642 . 1 581 . 59 ARG CA C 56.865 . 1 582 . 59 ARG CB C 30.214 . 1 583 . 59 ARG CG C 27.414 . 1 584 . 59 ARG CD C 43.340 . 1 585 . 59 ARG N N 121.519 . 1 586 . 60 GLY H H 7.671 . 1 587 . 60 GLY HA2 H 4.070 . 2 588 . 60 GLY HA3 H 3.810 . 2 589 . 60 GLY C C 173.967 . 1 590 . 60 GLY CA C 46.349 . 1 591 . 60 GLY N N 109.286 . 1 592 . 61 LEU H H 7.449 . 1 593 . 61 LEU HA H 4.222 . 1 594 . 61 LEU HB2 H 1.616 . 2 595 . 61 LEU HB3 H 1.483 . 2 596 . 61 LEU HG H 1.712 . 1 597 . 61 LEU HD1 H 0.883 . 2 598 . 61 LEU HD2 H 0.830 . 2 599 . 61 LEU C C 177.180 . 1 600 . 61 LEU CA C 56.499 . 1 601 . 61 LEU CB C 42.713 . 1 602 . 61 LEU CG C 27.041 . 1 603 . 61 LEU CD1 C 25.356 . 1 604 . 61 LEU CD2 C 23.870 . 1 605 . 61 LEU N N 120.683 . 1 606 . 62 ASP H H 7.961 . 1 607 . 62 ASP HA H 4.820 . 1 608 . 62 ASP HB2 H 2.417 . 1 609 . 62 ASP HB3 H 2.417 . 1 610 . 62 ASP CA C 52.924 . 1 611 . 62 ASP CB C 40.475 . 1 612 . 62 ASP N N 121.783 . 1 613 . 63 PRO HA H 4.912 . 1 614 . 63 PRO HB2 H 1.828 . 2 615 . 63 PRO HB3 H 1.510 . 2 616 . 63 PRO HG2 H 1.730 . 1 617 . 63 PRO HG3 H 1.730 . 1 618 . 63 PRO HD2 H 3.443 . 2 619 . 63 PRO HD3 H 3.208 . 2 620 . 63 PRO C C 175.961 . 1 621 . 63 PRO CA C 62.766 . 1 622 . 63 PRO CB C 31.332 . 1 623 . 63 PRO CG C 27.294 . 1 624 . 63 PRO CD C 50.075 . 1 625 . 64 VAL H H 8.515 . 1 626 . 64 VAL HA H 4.861 . 1 627 . 64 VAL HB H 1.840 . 1 628 . 64 VAL HG1 H 0.757 . 2 629 . 64 VAL HG2 H 0.790 . 2 630 . 64 VAL C C 173.445 . 1 631 . 64 VAL CA C 59.165 . 1 632 . 64 VAL CB C 36.635 . 1 633 . 64 VAL CG1 C 20.512 . 1 634 . 64 VAL CG2 C 21.445 . 1 635 . 64 VAL N N 120.724 . 1 636 . 65 VAL H H 8.658 . 1 637 . 65 VAL HA H 5.170 . 1 638 . 65 VAL HB H 1.575 . 1 639 . 65 VAL HG1 H 0.768 . 2 640 . 65 VAL HG2 H 0.795 . 2 641 . 65 VAL C C 174.285 . 1 642 . 65 VAL CA C 59.591 . 1 643 . 65 VAL CB C 34.878 . 1 644 . 65 VAL CG1 C 23.497 . 1 645 . 65 VAL CG2 C 22.005 . 1 646 . 65 VAL N N 120.783 . 1 647 . 66 LYS H H 9.337 . 1 648 . 66 LYS HA H 4.959 . 1 649 . 66 LYS HB2 H 1.614 . 1 650 . 66 LYS HB3 H 1.614 . 1 651 . 66 LYS HG2 H 1.424 . 2 652 . 66 LYS HG3 H 1.253 . 2 653 . 66 LYS HD2 H 1.532 . 2 654 . 66 LYS HD3 H 1.434 . 2 655 . 66 LYS HE2 H 2.875 . 2 656 . 66 LYS HE3 H 2.620 . 2 657 . 66 LYS C C 175.171 . 1 658 . 66 LYS CA C 54.697 . 1 659 . 66 LYS CB C 35.213 . 1 660 . 66 LYS CG C 26.109 . 1 661 . 66 LYS CD C 30.002 . 1 662 . 66 LYS CE C 42.222 . 1 663 . 66 LYS N N 126.301 . 1 664 . 67 LEU H H 8.628 . 1 665 . 67 LEU HA H 4.752 . 1 666 . 67 LEU HB2 H 1.132 . 2 667 . 67 LEU HB3 H 0.408 . 2 668 . 67 LEU HG H 0.766 . 1 669 . 67 LEU HD1 H 0.557 . 2 670 . 67 LEU HD2 H 1.280 . 2 671 . 67 LEU C C 175.135 . 1 672 . 67 LEU CA C 53.747 . 1 673 . 67 LEU CB C 41.221 . 1 674 . 67 LEU CG C 23.310 . 1 675 . 67 LEU CD1 C 25.176 . 1 676 . 67 LEU CD2 C 26.296 . 1 677 . 67 LEU N N 123.470 . 1 678 . 68 LEU H H 8.854 . 1 679 . 68 LEU HA H 5.379 . 1 680 . 68 LEU HB2 H 1.632 . 2 681 . 68 LEU HB3 H 1.592 . 2 682 . 68 LEU HG H 1.448 . 1 683 . 68 LEU HD1 H 0.751 . 2 684 . 68 LEU HD2 H 0.678 . 2 685 . 68 LEU C C 176.744 . 1 686 . 68 LEU CA C 54.467 . 1 687 . 68 LEU CB C 45.325 . 1 688 . 68 LEU CG C 29.178 . 1 689 . 68 LEU CD1 C 25.736 . 1 690 . 68 LEU CD2 C 26.482 . 1 691 . 68 LEU N N 124.364 . 1 692 . 69 ASP H H 8.129 . 1 693 . 69 ASP HA H 5.233 . 1 694 . 69 ASP HB2 H 3.473 . 2 695 . 69 ASP HB3 H 2.804 . 2 696 . 69 ASP C C 178.188 . 1 697 . 69 ASP CA C 52.129 . 1 698 . 69 ASP CB C 42.275 . 1 699 . 69 ASP N N 117.821 . 1 700 . 70 ALA H H 8.560 . 1 701 . 70 ALA HA H 4.511 . 1 702 . 70 ALA HB H 1.485 . 1 703 . 70 ALA C C 178.480 . 1 704 . 70 ALA CA C 54.676 . 1 705 . 70 ALA CB C 18.503 . 1 706 . 70 ALA N N 119.885 . 1 707 . 71 SER H H 8.311 . 1 708 . 71 SER HA H 4.559 . 1 709 . 71 SER HB2 H 4.064 . 2 710 . 71 SER HB3 H 3.966 . 2 711 . 71 SER C C 174.725 . 1 712 . 71 SER CA C 58.686 . 1 713 . 71 SER CB C 64.107 . 1 714 . 71 SER N N 113.735 . 1 715 . 72 GLY H H 8.210 . 1 716 . 72 GLY HA2 H 4.300 . 2 717 . 72 GLY HA3 H 3.528 . 2 718 . 72 GLY C C 173.180 . 1 719 . 72 GLY CA C 45.512 . 1 720 . 72 GLY N N 109.970 . 1 721 . 73 LYS H H 8.059 . 1 722 . 73 LYS HA H 4.340 . 1 723 . 73 LYS HB2 H 1.787 . 1 724 . 73 LYS HB3 H 1.787 . 1 725 . 73 LYS HG2 H 1.412 . 2 726 . 73 LYS HG3 H 1.249 . 2 727 . 73 LYS HD2 H 1.722 . 2 728 . 73 LYS HD3 H 1.670 . 2 729 . 73 LYS HE2 H 3.010 . 1 730 . 73 LYS HE3 H 3.010 . 1 731 . 73 LYS C C 176.927 . 1 732 . 73 LYS CA C 55.561 . 1 733 . 73 LYS CB C 33.012 . 1 734 . 73 LYS CG C 25.037 . 1 735 . 73 LYS CD C 29.100 . 1 736 . 73 LYS CE C 42.229 . 1 737 . 73 LYS N N 122.197 . 1 738 . 74 VAL H H 8.660 . 1 739 . 74 VAL HA H 3.810 . 1 740 . 74 VAL HB H 1.985 . 1 741 . 74 VAL HG1 H 0.936 . 2 742 . 74 VAL HG2 H 0.754 . 2 743 . 74 VAL C C 176.369 . 1 744 . 74 VAL CA C 64.001 . 1 745 . 74 VAL CB C 31.425 . 1 746 . 74 VAL CG1 C 22.005 . 1 747 . 74 VAL CG2 C 21.818 . 1 748 . 74 VAL N N 125.428 . 1 749 . 75 GLN H H 9.471 . 1 750 . 75 GLN HA H 4.518 . 1 751 . 75 GLN HB2 H 2.438 . 2 752 . 75 GLN HB3 H 1.825 . 2 753 . 75 GLN HG2 H 2.630 . 2 754 . 75 GLN HG3 H 2.565 . 2 755 . 75 GLN HE21 H 6.917 . 2 756 . 75 GLN HE22 H 7.293 . 2 757 . 75 GLN C C 175.997 . 1 758 . 75 GLN CA C 55.972 . 1 759 . 75 GLN CB C 31.141 . 1 760 . 75 GLN CG C 33.268 . 1 761 . 75 GLN N N 128.115 . 1 762 . 75 GLN NE2 N 112.326 . 1 763 . 76 GLU H H 7.460 . 1 764 . 76 GLU HA H 4.663 . 1 765 . 76 GLU HB2 H 1.823 . 1 766 . 76 GLU HB3 H 1.823 . 1 767 . 76 GLU HG2 H 2.166 . 1 768 . 76 GLU HG3 H 2.166 . 1 769 . 76 GLU C C 173.925 . 1 770 . 76 GLU CA C 55.542 . 1 771 . 76 GLU CB C 34.318 . 1 772 . 76 GLU CG C 35.997 . 1 773 . 76 GLU N N 116.514 . 1 774 . 77 THR H H 8.494 . 1 775 . 77 THR HA H 5.040 . 1 776 . 77 THR HB H 3.820 . 1 777 . 77 THR HG2 H 0.965 . 1 778 . 77 THR C C 173.404 . 1 779 . 77 THR CA C 61.626 . 1 780 . 77 THR CB C 70.512 . 1 781 . 77 THR CG2 C 21.305 . 1 782 . 77 THR N N 118.663 . 1 783 . 78 LEU H H 9.124 . 1 784 . 78 LEU HA H 4.640 . 1 785 . 78 LEU HB2 H 1.130 . 1 786 . 78 LEU HB3 H 1.130 . 1 787 . 78 LEU HG H 0.545 . 1 788 . 78 LEU HD1 H 0.545 . 2 789 . 78 LEU HD2 H 0.656 . 2 790 . 78 LEU C C 175.462 . 1 791 . 78 LEU CA C 53.377 . 1 792 . 78 LEU CB C 44.508 . 1 793 . 78 LEU CG C 26.109 . 1 794 . 78 LEU CD1 C 26.107 . 1 795 . 78 LEU CD2 C 24.616 . 1 796 . 78 LEU N N 125.854 . 1 797 . 79 SER H H 8.486 . 1 798 . 79 SER HA H 4.483 . 1 799 . 79 SER HB2 H 3.775 . 2 800 . 79 SER HB3 H 3.652 . 2 801 . 79 SER CA C 57.834 . 1 802 . 79 SER CB C 63.050 . 1 803 . 79 SER N N 116.967 . 1 804 . 80 ILE H H 6.970 . 1 805 . 80 ILE HA H 3.115 . 1 806 . 80 ILE HB H 1.075 . 1 807 . 80 ILE HG12 H 0.667 . 1 808 . 80 ILE HG13 H 0.193 . 1 809 . 80 ILE HG2 H -0.688 . 1 810 . 80 ILE HD1 H 0.370 . 1 811 . 80 ILE C C 175.220 . 1 812 . 80 ILE CA C 60.437 . 1 813 . 80 ILE CB C 37.490 . 1 814 . 80 ILE CG1 C 26.295 . 2 815 . 80 ILE CG2 C 16.408 . 1 816 . 80 ILE CD1 C 14.542 . 1 817 . 80 ILE N N 119.569 . 1 818 . 81 THR H H 7.121 . 1 819 . 81 THR HA H 3.350 . 1 820 . 81 THR HB H 4.070 . 1 821 . 81 THR HG2 H 0.935 . 1 822 . 81 THR C C 176.343 . 1 823 . 81 THR CA C 64.419 . 1 824 . 81 THR CB C 68.404 . 1 825 . 81 THR CG2 C 22.937 . 1 826 . 81 THR N N 111.955 . 1 827 . 82 LYS H H 8.214 . 1 828 . 82 LYS HA H 4.530 . 1 829 . 82 LYS HB2 H 2.143 . 2 830 . 82 LYS HB3 H 1.740 . 2 831 . 82 LYS HG2 H 1.486 . 2 832 . 82 LYS HG3 H 1.400 . 2 833 . 82 LYS HD2 H 1.727 . 1 834 . 82 LYS HD3 H 1.727 . 1 835 . 82 LYS HE2 H 3.035 . 2 836 . 82 LYS HE3 H 2.934 . 2 837 . 82 LYS C C 176.493 . 1 838 . 82 LYS CA C 55.768 . 1 839 . 82 LYS CB C 32.011 . 1 840 . 82 LYS CG C 25.176 . 1 841 . 82 LYS CD C 29.149 . 1 842 . 82 LYS CE C 42.365 . 1 843 . 82 LYS N N 118.464 . 1 844 . 83 TRP H H 7.654 . 1 845 . 83 TRP HA H 4.625 . 1 846 . 83 TRP HB2 H 3.137 . 1 847 . 83 TRP HB3 H 3.137 . 1 848 . 83 TRP HD1 H 6.763 . 1 849 . 83 TRP HE1 H 9.700 . 3 850 . 83 TRP HE3 H 6.012 . 3 851 . 83 TRP HZ2 H 6.809 . 3 852 . 83 TRP HZ3 H 5.605 . 3 853 . 83 TRP HH2 H 6.895 . 1 854 . 83 TRP C C 174.936 . 1 855 . 83 TRP CA C 56.318 . 1 856 . 83 TRP CB C 30.194 . 1 857 . 83 TRP CD1 C 123.497 . 3 858 . 83 TRP CE3 C 122.401 . 3 859 . 83 TRP CZ2 C 123.497 . 3 860 . 83 TRP CZ3 C 123.683 . 3 861 . 83 TRP CH2 C 113.609 . 1 862 . 83 TRP N N 121.773 . 1 863 . 83 TRP NE1 N 127.346 . 1 864 . 84 ASN H H 8.303 . 1 865 . 84 ASN HA H 4.394 . 1 866 . 84 ASN HB2 H 3.217 . 1 867 . 84 ASN HB3 H 3.217 . 1 868 . 84 ASN HD21 H 7.176 . 2 869 . 84 ASN HD22 H 7.445 . 2 870 . 84 ASN C C 176.437 . 1 871 . 84 ASN CA C 56.318 . 1 872 . 84 ASN CB C 30.869 . 1 873 . 84 ASN N N 123.033 . 1 874 . 84 ASN ND2 N 112.545 . 1 875 . 85 THR H H 8.108 . 1 876 . 85 THR HA H 4.390 . 1 877 . 85 THR HB H 4.304 . 1 878 . 85 THR HG2 H 1.209 . 1 879 . 85 THR C C 173.616 . 1 880 . 85 THR CA C 61.661 . 1 881 . 85 THR CB C 69.911 . 1 882 . 85 THR CG2 C 21.619 . 1 883 . 85 THR N N 114.543 . 1 884 . 86 ASP H H 8.040 . 1 885 . 86 ASP HA H 4.490 . 1 886 . 86 ASP HB2 H 2.757 . 2 887 . 86 ASP HB3 H 2.665 . 2 888 . 86 ASP C C 178.247 . 1 889 . 86 ASP CA C 57.287 . 1 890 . 86 ASP CB C 39.915 . 1 891 . 86 ASP N N 126.124 . 1 892 . 87 THR H H 7.905 . 1 893 . 87 THR HA H 4.188 . 1 894 . 87 THR HB H 4.170 . 1 895 . 87 THR HG2 H 1.372 . 1 896 . 87 THR C C 175.529 . 1 897 . 87 THR CA C 68.833 . 1 898 . 87 THR CB C 69.392 . 1 899 . 87 THR CG2 C 22.750 . 1 900 . 87 THR N N 117.550 . 1 901 . 88 VAL H H 8.466 . 1 902 . 88 VAL HA H 3.357 . 1 903 . 88 VAL HB H 1.879 . 1 904 . 88 VAL HG1 H 0.824 . 2 905 . 88 VAL HG2 H -0.012 . 2 906 . 88 VAL C C 178.247 . 1 907 . 88 VAL CA C 66.781 . 1 908 . 88 VAL CB C 31.893 . 1 909 . 88 VAL CG1 C 23.124 . 1 910 . 88 VAL CG2 C 21.631 . 1 911 . 88 VAL N N 118.882 . 1 912 . 89 GLU H H 7.923 . 1 913 . 89 GLU HA H 4.038 . 1 914 . 89 GLU HB2 H 2.475 . 2 915 . 89 GLU HB3 H 2.365 . 2 916 . 89 GLU HG2 H 2.680 . 1 917 . 89 GLU HG3 H 2.680 . 1 918 . 89 GLU C C 177.722 . 1 919 . 89 GLU CA C 61.073 . 1 920 . 89 GLU CB C 30.400 . 1 921 . 89 GLU CG C 36.930 . 1 922 . 89 GLU N N 117.352 . 1 923 . 90 GLU H H 8.391 . 1 924 . 90 GLU HA H 4.118 . 1 925 . 90 GLU HB2 H 2.123 . 2 926 . 90 GLU HB3 H 2.013 . 2 927 . 90 GLU HG2 H 2.382 . 2 928 . 90 GLU HG3 H 2.243 . 2 929 . 90 GLU C C 178.901 . 1 930 . 90 GLU CA C 59.124 . 1 931 . 90 GLU CB C 29.727 . 1 932 . 90 GLU CG C 36.184 . 1 933 . 90 GLU N N 118.351 . 1 934 . 91 PHE H H 8.161 . 1 935 . 91 PHE HA H 4.020 . 1 936 . 91 PHE HB2 H 2.850 . 2 937 . 91 PHE HB3 H 2.791 . 2 938 . 91 PHE HD1 H 6.431 . 1 939 . 91 PHE HD2 H 6.431 . 1 940 . 91 PHE HE1 H 6.729 . 1 941 . 91 PHE HE2 H 6.729 . 1 942 . 91 PHE HZ H 6.833 . 1 943 . 91 PHE C C 178.694 . 1 944 . 91 PHE CA C 62.281 . 1 945 . 91 PHE CB C 39.019 . 1 946 . 91 PHE CD1 C 131.333 . 1 947 . 91 PHE CD2 C 131.333 . 1 948 . 91 PHE CE1 C 129.654 . 1 949 . 91 PHE CE2 C 129.654 . 1 950 . 91 PHE CZ C 128.161 . 1 951 . 91 PHE N N 121.077 . 1 952 . 92 PHE H H 7.634 . 1 953 . 92 PHE HA H 4.158 . 1 954 . 92 PHE HB2 H 2.128 . 2 955 . 92 PHE HB3 H 2.086 . 2 956 . 92 PHE HD1 H 6.835 . 1 957 . 92 PHE HD2 H 6.835 . 1 958 . 92 PHE C C 177.730 . 1 959 . 92 PHE CA C 60.614 . 1 960 . 92 PHE CB C 36.557 . 1 961 . 92 PHE CD1 C 130.214 . 1 962 . 92 PHE CD2 C 130.214 . 1 963 . 92 PHE N N 118.880 . 1 964 . 93 GLU H H 8.708 . 1 965 . 93 GLU HA H 4.365 . 1 966 . 93 GLU HB2 H 2.485 . 2 967 . 93 GLU HB3 H 2.254 . 2 968 . 93 GLU HG2 H 2.589 . 1 969 . 93 GLU HG3 H 2.589 . 1 970 . 93 GLU C C 178.256 . 1 971 . 93 GLU CA C 59.680 . 1 972 . 93 GLU CB C 30.030 . 1 973 . 93 GLU CG C 35.948 . 1 974 . 93 GLU N N 120.717 . 1 975 . 94 THR H H 7.729 . 1 976 . 94 THR HA H 4.185 . 1 977 . 94 THR HB H 3.930 . 1 978 . 94 THR HG2 H 0.968 . 1 979 . 94 THR C C 176.054 . 1 980 . 94 THR CA C 63.465 . 1 981 . 94 THR CB C 70.700 . 1 982 . 94 THR CG2 C 21.614 . 1 983 . 94 THR N N 106.612 . 1 984 . 95 HIS H H 7.889 . 1 985 . 95 HIS HA H 4.830 . 1 986 . 95 HIS HB2 H 3.196 . 2 987 . 95 HIS HB3 H 2.094 . 2 988 . 95 HIS C C 173.782 . 1 989 . 95 HIS CA C 57.367 . 1 990 . 95 HIS CB C 29.467 . 1 991 . 95 HIS N N 114.106 . 1 992 . 96 LEU H H 7.733 . 1 993 . 96 LEU HA H 5.128 . 1 994 . 96 LEU HB2 H 1.850 . 1 995 . 96 LEU HB3 H 1.850 . 1 996 . 96 LEU HG H 1.780 . 1 997 . 96 LEU HD1 H 0.710 . 2 998 . 96 LEU HD2 H 0.740 . 2 999 . 96 LEU C C 176.671 . 1 1000 . 96 LEU CA C 53.680 . 1 1001 . 96 LEU CB C 43.220 . 1 1002 . 96 LEU CG C 27.239 . 1 1003 . 96 LEU CD1 C 24.990 . 1 1004 . 96 LEU CD2 C 24.057 . 1 1005 . 96 LEU N N 119.616 . 1 1006 . 97 ALA H H 8.714 . 1 1007 . 97 ALA HA H 4.152 . 1 1008 . 97 ALA HB H 1.375 . 1 1009 . 97 ALA C C 177.640 . 1 1010 . 97 ALA CA C 52.975 . 1 1011 . 97 ALA CB C 19.421 . 1 1012 . 97 ALA N N 127.191 . 1 1013 . 98 LYS H H 8.603 . 1 1014 . 98 LYS HA H 4.505 . 1 1015 . 98 LYS HB2 H 1.961 . 2 1016 . 98 LYS HB3 H 1.778 . 2 1017 . 98 LYS HG2 H 1.599 . 2 1018 . 98 LYS HG3 H 1.554 . 2 1019 . 98 LYS HD2 H 1.784 . 1 1020 . 98 LYS HD3 H 1.784 . 1 1021 . 98 LYS HE2 H 3.178 . 1 1022 . 98 LYS HE3 H 3.178 . 1 1023 . 98 LYS C C 176.499 . 1 1024 . 98 LYS CA C 55.972 . 1 1025 . 98 LYS CB C 33.531 . 1 1026 . 98 LYS CG C 25.106 . 1 1027 . 98 LYS CD C 29.310 . 1 1028 . 98 LYS CE C 42.527 . 1 1029 . 98 LYS N N 121.346 . 1 1030 . 99 ASP H H 8.309 . 1 1031 . 99 ASP HA H 4.646 . 1 1032 . 99 ASP HB2 H 2.705 . 2 1033 . 99 ASP HB3 H 2.630 . 2 1034 . 99 ASP C C 176.713 . 1 1035 . 99 ASP CA C 54.330 . 1 1036 . 99 ASP CB C 41.641 . 1 1037 . 99 ASP N N 120.661 . 1 1038 . 100 GLY H H 8.445 . 1 1039 . 100 GLY HA2 H 3.981 . 1 1040 . 100 GLY HA3 H 3.981 . 1 1041 . 100 GLY C C 174.188 . 1 1042 . 100 GLY CA C 45.691 . 1 1043 . 100 GLY N N 109.720 . 1 1044 . 101 ALA H H 8.202 . 1 1045 . 101 ALA HA H 4.370 . 1 1046 . 101 ALA HB H 1.436 . 1 1047 . 101 ALA C C 178.280 . 1 1048 . 101 ALA CA C 52.688 . 1 1049 . 101 ALA CB C 19.358 . 1 1050 . 101 ALA N N 123.514 . 1 1051 . 102 GLY H H 8.383 . 1 1052 . 102 GLY HA2 H 4.012 . 2 1053 . 102 GLY HA3 H 3.932 . 2 1054 . 102 GLY C C 174.291 . 1 1055 . 102 GLY CA C 45.448 . 1 1056 . 102 GLY N N 107.962 . 1 1057 . 103 LYS H H 8.118 . 1 1058 . 103 LYS HA H 4.325 . 1 1059 . 103 LYS HB2 H 1.812 . 2 1060 . 103 LYS HB3 H 1.771 . 2 1061 . 103 LYS HG2 H 1.433 . 1 1062 . 103 LYS HG3 H 1.433 . 1 1063 . 103 LYS HD2 H 1.691 . 1 1064 . 103 LYS HD3 H 1.691 . 1 1065 . 103 LYS HE2 H 3.023 . 1 1066 . 103 LYS HE3 H 3.023 . 1 1067 . 103 LYS C C 176.411 . 1 1068 . 103 LYS CA C 56.451 . 1 1069 . 103 LYS CB C 33.063 . 1 1070 . 103 LYS CG C 24.700 . 1 1071 . 103 LYS CD C 29.159 . 1 1072 . 103 LYS CE C 42.217 . 1 1073 . 103 LYS N N 120.611 . 1 1074 . 104 ASN H H 8.466 . 1 1075 . 104 ASN HA H 4.740 . 1 1076 . 104 ASN HB2 H 2.791 . 2 1077 . 104 ASN HB3 H 2.702 . 2 1078 . 104 ASN HD21 H 6.906 . 2 1079 . 104 ASN HD22 H 7.554 . 2 1080 . 104 ASN C C 175.121 . 1 1081 . 104 ASN CA C 53.262 . 1 1082 . 104 ASN CB C 39.121 . 1 1083 . 104 ASN N N 118.882 . 1 1084 . 104 ASN ND2 N 112.763 . 1 1085 . 105 SER H H 8.162 . 1 1086 . 105 SER HA H 5.669 . 1 1087 . 105 SER HB2 H 4.424 . 2 1088 . 105 SER HB3 H 3.801 . 2 1089 . 105 SER C C 173.967 . 1 1090 . 105 SER CA C 58.515 . 1 1091 . 105 SER CB C 63.771 . 1 1092 . 105 SER N N 115.872 . 1 1093 . 106 TYR H H 8.130 . 1 1094 . 106 TYR HA H 4.640 . 1 1095 . 106 TYR HB2 H 3.075 . 2 1096 . 106 TYR HB3 H 2.967 . 2 1097 . 106 TYR HD1 H 7.104 . 1 1098 . 106 TYR HD2 H 7.104 . 1 1099 . 106 TYR HE1 H 6.824 . 1 1100 . 106 TYR HE2 H 6.824 . 1 1101 . 106 TYR C C 175.550 . 1 1102 . 106 TYR CA C 57.840 . 1 1103 . 106 TYR CB C 38.982 . 1 1104 . 106 TYR CD1 C 132.825 . 1 1105 . 106 TYR CD2 C 132.825 . 1 1106 . 106 TYR CE1 C 118.086 . 1 1107 . 106 TYR CE2 C 118.086 . 1 1108 . 106 TYR N N 121.557 . 1 1109 . 107 SER H H 8.122 . 1 1110 . 107 SER HA H 5.731 . 1 1111 . 107 SER HB2 H 4.504 . 2 1112 . 107 SER HB3 H 3.815 . 2 1113 . 107 SER C C 173.930 . 1 1114 . 107 SER CA C 58.095 . 1 1115 . 107 SER CB C 64.066 . 1 1116 . 107 SER N N 117.535 . 1 1117 . 108 VAL H H 8.084 . 1 1118 . 108 VAL HA H 4.176 . 1 1119 . 108 VAL HB H 2.074 . 1 1120 . 108 VAL HG1 H 0.937 . 2 1121 . 108 VAL HG2 H 0.924 . 2 1122 . 108 VAL C C 175.931 . 1 1123 . 108 VAL CA C 62.303 . 1 1124 . 108 VAL CB C 33.012 . 1 1125 . 108 VAL CG1 C 20.728 . 1 1126 . 108 VAL CG2 C 21.315 . 1 1127 . 108 VAL N N 121.930 . 1 1128 . 109 VAL H H 8.158 . 1 1129 . 109 VAL HA H 4.130 . 1 1130 . 109 VAL HB H 2.036 . 1 1131 . 109 VAL HG1 H 0.937 . 2 1132 . 109 VAL HG2 H 0.935 . 2 1133 . 109 VAL C C 175.917 . 1 1134 . 109 VAL CA C 62.229 . 1 1135 . 109 VAL CB C 32.859 . 1 1136 . 109 VAL CG1 C 20.728 . 1 1137 . 109 VAL CG2 C 21.315 . 1 1138 . 109 VAL N N 123.689 . 1 1139 . 110 GLU H H 8.452 . 1 1140 . 110 GLU HA H 4.330 . 1 1141 . 110 GLU HB2 H 2.038 . 2 1142 . 110 GLU HB3 H 1.910 . 2 1143 . 110 GLU HG2 H 2.250 . 1 1144 . 110 GLU HG3 H 2.250 . 1 1145 . 110 GLU C C 175.954 . 1 1146 . 110 GLU CA C 56.472 . 1 1147 . 110 GLU CB C 30.611 . 1 1148 . 110 GLU CG C 36.184 . 1 1149 . 110 GLU N N 124.954 . 1 1150 . 111 ASP H H 8.326 . 1 1151 . 111 ASP HA H 4.609 . 1 1152 . 111 ASP HB2 H 2.713 . 2 1153 . 111 ASP HB3 H 2.635 . 2 1154 . 111 ASP C C 175.776 . 1 1155 . 111 ASP CA C 54.333 . 1 1156 . 111 ASP CB C 41.313 . 1 1157 . 111 ASP N N 121.723 . 1 1158 . 112 ALA H H 8.219 . 1 1159 . 112 ALA HA H 4.350 . 1 1160 . 112 ALA HB H 1.392 . 1 1161 . 112 ALA C C 177.380 . 1 1162 . 112 ALA CA C 52.602 . 1 1163 . 112 ALA CB C 19.694 . 1 1164 . 112 ALA N N 124.523 . 1 1165 . 113 ASP H H 8.307 . 1 1166 . 113 ASP HA H 4.617 . 1 1167 . 113 ASP HB2 H 2.700 . 2 1168 . 113 ASP HB3 H 2.620 . 2 1169 . 113 ASP C C 176.646 . 1 1170 . 113 ASP CA C 54.506 . 1 1171 . 113 ASP CB C 41.474 . 1 1172 . 113 ASP N N 119.754 . 1 1173 . 114 GLY H H 8.215 . 1 1174 . 114 GLY HA2 H 4.011 . 2 1175 . 114 GLY HA3 H 3.941 . 2 1176 . 114 GLY C C 173.839 . 1 1177 . 114 GLY CA C 45.417 . 1 1178 . 114 GLY N N 109.044 . 1 1179 . 115 ASP H H 8.237 . 1 1180 . 115 ASP HA H 4.637 . 1 1181 . 115 ASP HB2 H 2.692 . 2 1182 . 115 ASP HB3 H 2.583 . 2 1183 . 115 ASP CA C 54.286 . 1 1184 . 115 ASP CB C 41.554 . 1 1185 . 115 ASP N N 120.193 . 1 1186 . 116 ASP H H 8.149 . 1 1187 . 116 ASP HA H 4.287 . 1 1188 . 116 ASP N N 120.848 . 1 1189 . 117 ASP H H 8.342 . 1 1190 . 117 ASP HA H 4.586 . 1 1191 . 117 ASP N N 120.630 . 1 1192 . 118 GLU H H 8.346 . 1 1193 . 118 GLU HA H 4.160 . 1 1194 . 118 GLU HB2 H 2.024 . 2 1195 . 118 GLU HB3 H 1.936 . 2 1196 . 118 GLU HG2 H 2.238 . 1 1197 . 118 GLU HG3 H 2.238 . 1 1198 . 118 GLU C C 176.022 . 1 1199 . 118 GLU CA C 57.452 . 1 1200 . 118 GLU CB C 30.096 . 1 1201 . 118 GLU CG C 36.184 . 1 1202 . 118 GLU N N 120.848 . 1 1203 . 119 ASP H H 8.316 . 1 1204 . 119 ASP HA H 4.508 . 1 1205 . 119 ASP HB2 H 2.655 . 1 1206 . 119 ASP HB3 H 2.655 . 1 1207 . 119 ASP C C 177.130 . 1 1208 . 119 ASP CA C 55.284 . 1 1209 . 119 ASP CB C 40.966 . 1 1210 . 119 ASP N N 120.411 . 1 1211 . 120 TYR H H 7.991 . 1 1212 . 120 TYR HA H 4.408 . 1 1213 . 120 TYR HB2 H 3.064 . 1 1214 . 120 TYR HB3 H 3.064 . 1 1215 . 120 TYR HD1 H 7.093 . 1 1216 . 120 TYR HD2 H 7.093 . 1 1217 . 120 TYR HE1 H 6.820 . 1 1218 . 120 TYR HE2 H 6.820 . 1 1219 . 120 TYR C C 176.410 . 1 1220 . 120 TYR CA C 59.118 . 1 1221 . 120 TYR CB C 38.236 . 1 1222 . 120 TYR CD1 C 132.825 . 1 1223 . 120 TYR CD2 C 132.825 . 1 1224 . 120 TYR CE1 C 118.086 . 1 1225 . 120 TYR CE2 C 118.086 . 1 1226 . 120 TYR N N 120.443 . 1 1227 . 121 LEU H H 7.922 . 1 1228 . 121 LEU HA H 4.173 . 1 1229 . 121 LEU HB2 H 1.666 . 2 1230 . 121 LEU HB3 H 1.520 . 2 1231 . 121 LEU HG H 1.408 . 1 1232 . 121 LEU HD1 H 0.919 . 2 1233 . 121 LEU HD2 H 0.877 . 2 1234 . 121 LEU C C 177.768 . 1 1235 . 121 LEU CA C 55.746 . 1 1236 . 121 LEU CB C 41.966 . 1 1237 . 121 LEU CG C 26.855 . 1 1238 . 121 LEU CD1 C 25.164 . 1 1239 . 121 LEU CD2 C 23.541 . 1 1240 . 121 LEU N N 120.880 . 1 1241 . 122 ARG H H 7.947 . 1 1242 . 122 ARG HA H 4.290 . 1 1243 . 122 ARG HB2 H 1.897 . 2 1244 . 122 ARG HB3 H 1.842 . 2 1245 . 122 ARG HG2 H 1.663 . 2 1246 . 122 ARG HG3 H 1.615 . 2 1247 . 122 ARG HD2 H 3.226 . 1 1248 . 122 ARG HD3 H 3.226 . 1 1249 . 122 ARG C C 176.913 . 1 1250 . 122 ARG CA C 56.875 . 1 1251 . 122 ARG CB C 30.587 . 1 1252 . 122 ARG CG C 27.602 . 1 1253 . 122 ARG CD C 43.439 . 1 1254 . 122 ARG N N 119.788 . 1 1255 . 123 THR H H 7.941 . 1 1256 . 123 THR HA H 4.285 . 1 1257 . 123 THR HB H 4.399 . 1 1258 . 123 THR HG2 H 1.203 . 1 1259 . 123 THR C C 174.393 . 1 1260 . 123 THR CA C 62.303 . 1 1261 . 123 THR CB C 69.697 . 1 1262 . 123 THR CG2 C 21.818 . 1 1263 . 123 THR N N 113.014 . 1 1264 . 124 ASN H H 8.259 . 1 1265 . 124 ASN HA H 4.725 . 1 1266 . 124 ASN HB2 H 2.785 . 2 1267 . 124 ASN HB3 H 2.683 . 2 1268 . 124 ASN HD21 H 6.835 . 2 1269 . 124 ASN HD22 H 7.474 . 2 1270 . 124 ASN C C 174.635 . 1 1271 . 124 ASN CA C 53.410 . 1 1272 . 124 ASN CB C 38.931 . 1 1273 . 124 ASN N N 120.218 . 1 1274 . 124 ASN ND2 N 112.763 . 1 1275 . 125 ARG H H 8.094 . 1 1276 . 125 ARG HA H 4.384 . 1 1277 . 125 ARG HB2 H 1.892 . 2 1278 . 125 ARG HB3 H 1.780 . 2 1279 . 125 ARG HG2 H 1.624 . 1 1280 . 125 ARG HG3 H 1.624 . 1 1281 . 125 ARG HD2 H 3.199 . 1 1282 . 125 ARG HD3 H 3.199 . 1 1283 . 125 ARG C C 175.154 . 1 1284 . 125 ARG CA C 56.282 . 1 1285 . 125 ARG CB C 30.862 . 1 1286 . 125 ARG CG C 27.125 . 1 1287 . 125 ARG CD C 43.458 . 1 1288 . 125 ARG N N 121.522 . 1 1289 . 126 ILE H H 7.679 . 1 1290 . 126 ILE HA H 4.085 . 1 1291 . 126 ILE HB H 1.830 . 1 1292 . 126 ILE HG12 H 1.451 . 1 1293 . 126 ILE HG13 H 1.016 . 1 1294 . 126 ILE HG2 H 0.904 . 1 1295 . 126 ILE HD1 H 0.887 . 1 1296 . 126 ILE CA C 62.871 . 1 1297 . 126 ILE CB C 39.638 . 1 1298 . 126 ILE CG1 C 27.449 . 2 1299 . 126 ILE CG2 C 18.137 . 1 1300 . 126 ILE CD1 C 13.634 . 1 1301 . 126 ILE N N 126.130 . 1 stop_ save_