data_15512 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N NMR chemical shift assignments of the palladin Ig3 domain ; _BMRB_accession_number 15512 _BMRB_flat_file_name bmr15512.str _Entry_type original _Submission_date 2007-10-08 _Accession_date 2007-10-08 _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 Dixon Richard 'D. S.' IV 2 Rachlin Andrew S. . 3 Otey Carol A. . 4 Campbell Sharon L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 611 "13C chemical shifts" 455 "15N chemical shifts" 112 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-21 update BMRB 'add PubMed ID' 2008-06-05 update BMRB 'complete entry citation' 2008-03-31 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N, and 13C NMR chemical shift assignments for the Ig3 domain of palladin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636923 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dixon Richard D.S. . 2 Campbell Sharon L. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 2 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 51 _Page_last 53 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Palladin Ig3 domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'molecule 1' $Palladin_Ig3_domain stop_ _System_molecular_weight 11975 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Palladin_Ig3_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Palladin_Ig3_domain _Molecular_mass 11975 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; GGSNATAPFFEMKLKHYKIF EGMPVTFTCRVAGNPKPKIY WFKDGKQISPKSDHYTIQRD LDGTCSLHTTASTLDDDGNY TIMAANPQGRVSCTGRLMVQ AVNQRGRS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLY 3 SER 4 ASN 5 ALA 6 THR 7 ALA 8 PRO 9 PHE 10 PHE 11 GLU 12 MET 13 LYS 14 LEU 15 LYS 16 HIS 17 TYR 18 LYS 19 ILE 20 PHE 21 GLU 22 GLY 23 MET 24 PRO 25 VAL 26 THR 27 PHE 28 THR 29 CYS 30 ARG 31 VAL 32 ALA 33 GLY 34 ASN 35 PRO 36 LYS 37 PRO 38 LYS 39 ILE 40 TYR 41 TRP 42 PHE 43 LYS 44 ASP 45 GLY 46 LYS 47 GLN 48 ILE 49 SER 50 PRO 51 LYS 52 SER 53 ASP 54 HIS 55 TYR 56 THR 57 ILE 58 GLN 59 ARG 60 ASP 61 LEU 62 ASP 63 GLY 64 THR 65 CYS 66 SER 67 LEU 68 HIS 69 THR 70 THR 71 ALA 72 SER 73 THR 74 LEU 75 ASP 76 ASP 77 ASP 78 GLY 79 ASN 80 TYR 81 THR 82 ILE 83 MET 84 ALA 85 ALA 86 ASN 87 PRO 88 GLN 89 GLY 90 ARG 91 VAL 92 SER 93 CYS 94 THR 95 GLY 96 ARG 97 LEU 98 MET 99 VAL 100 GLN 101 ALA 102 VAL 103 ASN 104 GLN 105 ARG 106 GLY 107 ARG 108 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2DM2 "Solution Structure Of The First Ig Domain Of Human Palladin" 89.81 110 98.97 100.00 4.53e-67 PDB 2LQR "Nmr Structure Of Ig3 Domain Of Palladin" 100.00 108 100.00 100.00 2.37e-75 GB EDL28653 "mCG116606, isoform CRA_a, partial [Mus musculus]" 79.63 298 98.84 98.84 2.72e-56 GB EDL28654 "mCG116606, isoform CRA_b, partial [Mus musculus]" 79.63 509 98.84 98.84 1.13e-50 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Palladin_Ig3_domain Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $Palladin_Ig3_domain 'recombinant technology' . Escherichia coli BL21 'BL21(DE3) codonPlus RIPL' pMAL-c2x 'engineered to have a TEV cleavage site (ENLYFQG)' 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 $Palladin_Ig3_domain 0.3-1.8 mM '[U-98% 13C; U-98% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' TRIS 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2.01 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 700 _Details 'cryogenic probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_(aliphatic)_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (aliphatic)' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_C(CO)NH_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH TOCSY' _Sample_label $sample_1 save_ save_3D_HC(CO)NH_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HC(CO)NH TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_(aliphatic)_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY (aliphatic)' _Sample_label $sample_1 save_ save_HBCBCGCDHD_10 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDHD _Sample_label $sample_1 save_ save_HBCBCGCDCEHE_11 _Saveframe_category NMR_applied_experiment _Experiment_name HBCBCGCDCEHE _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_(aromatic)_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC (aromatic)' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_(aromatic)_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY (aromatic)' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 pH pressure 1 . atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC (aliphatic)' '3D HNCACB' '3D HNCO' '3D C(CO)NH TOCSY' '3D HC(CO)NH TOCSY' '3D HCCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY (aliphatic)' HBCBCGCDHD HBCBCGCDCEHE '2D 1H-13C HSQC (aromatic)' '3D 1H-13C NOESY (aromatic)' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'molecule 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY H H 8.743 0.01 1 2 1 1 GLY HA2 H 3.898 0.01 2 3 1 1 GLY HA3 H 3.898 0.01 2 4 1 1 GLY C C 175.439 0.1 1 5 1 1 GLY CA C 45.578 0.1 1 6 1 1 GLY N N 113.815 0.1 1 7 2 2 GLY H H 8.624 0.01 1 8 2 2 GLY HA2 H 3.998 0.01 2 9 2 2 GLY HA3 H 3.998 0.01 2 10 2 2 GLY C C 174.134 0.1 1 11 2 2 GLY CA C 45.265 0.1 1 12 2 2 GLY N N 109.450 0.1 1 13 3 3 SER H H 8.408 0.01 1 14 3 3 SER HA H 4.469 0.01 1 15 3 3 SER HB2 H 3.717 0.01 2 16 3 3 SER HB3 H 3.717 0.01 2 17 3 3 SER C C 174.347 0.1 1 18 3 3 SER CA C 58.133 0.1 1 19 3 3 SER CB C 63.806 0.1 1 20 3 3 SER N N 115.635 0.1 1 21 4 4 ASN H H 8.463 0.01 1 22 4 4 ASN HA H 4.671 0.01 1 23 4 4 ASN HB2 H 2.744 0.01 2 24 4 4 ASN HB3 H 2.744 0.01 2 25 4 4 ASN HD21 H 7.538 0.01 2 26 4 4 ASN HD22 H 6.888 0.01 2 27 4 4 ASN C C 174.615 0.1 1 28 4 4 ASN CA C 53.122 0.1 1 29 4 4 ASN CB C 38.733 0.1 1 30 4 4 ASN N N 120.699 0.1 1 31 4 4 ASN ND2 N 113.000 0.1 1 32 5 5 ALA H H 8.158 0.01 1 33 5 5 ALA HA H 4.417 0.01 1 34 5 5 ALA HB H 1.319 0.01 1 35 5 5 ALA C C 174.615 0.1 1 36 5 5 ALA CA C 52.602 0.1 1 37 5 5 ALA CB C 19.294 0.1 1 38 5 5 ALA N N 125.359 0.1 1 39 6 6 THR H H 9.640 0.01 1 40 6 6 THR HA H 4.590 0.01 1 41 6 6 THR HB H 4.174 0.01 1 42 6 6 THR HG2 H 1.235 0.01 1 43 6 6 THR C C 173.358 0.1 1 44 6 6 THR CA C 60.363 0.1 1 45 6 6 THR CB C 71.998 0.1 1 46 6 6 THR CG2 C 21.507 0.1 1 47 6 6 THR N N 115.947 0.1 1 48 7 7 ALA H H 8.564 0.01 1 49 7 7 ALA HA H 4.393 0.01 1 50 7 7 ALA HB H 1.247 0.01 1 51 7 7 ALA C C 173.358 0.1 1 52 7 7 ALA CA C 50.818 0.1 1 53 7 7 ALA CB C 16.419 0.1 1 54 7 7 ALA N N 127.194 0.1 1 55 8 8 PRO HA H 4.964 0.01 1 56 8 8 PRO HB2 H 1.617 0.01 2 57 8 8 PRO HB3 H 1.617 0.01 2 58 8 8 PRO HD2 H 3.782 0.01 2 59 8 8 PRO HD3 H 3.782 0.01 2 60 8 8 PRO HG2 H 1.819 0.01 2 61 8 8 PRO HG3 H 1.389 0.01 2 62 8 8 PRO C C 174.114 0.1 1 63 8 8 PRO CA C 61.727 0.1 1 64 8 8 PRO CB C 31.867 0.1 1 65 8 8 PRO CD C 50.012 0.1 1 66 8 8 PRO CG C 28.197 0.1 1 67 9 9 PHE H H 7.705 0.01 1 68 9 9 PHE HA H 4.556 0.01 1 69 9 9 PHE HB2 H 2.987 0.01 2 70 9 9 PHE HB3 H 2.908 0.01 2 71 9 9 PHE HD1 H 7.068 0.01 3 72 9 9 PHE HD2 H 7.068 0.01 3 73 9 9 PHE HE1 H 7.150 0.01 3 74 9 9 PHE HE2 H 7.068 0.01 3 75 9 9 PHE C C 172.878 0.1 1 76 9 9 PHE CA C 55.745 0.1 1 77 9 9 PHE CB C 41.082 0.1 1 78 9 9 PHE CD1 C 132.740 0.1 3 79 9 9 PHE CD2 C 132.740 0.1 3 80 9 9 PHE CE1 C 131.090 0.1 3 81 9 9 PHE CE2 C 132.740 0.1 3 82 9 9 PHE N N 113.425 0.1 1 83 10 10 PHE H H 8.848 0.01 1 84 10 10 PHE HA H 4.875 0.01 1 85 10 10 PHE HB2 H 2.724 0.01 2 86 10 10 PHE HB3 H 2.724 0.01 2 87 10 10 PHE HD1 H 7.031 0.01 3 88 10 10 PHE HD2 H 7.161 0.01 3 89 10 10 PHE HE1 H 7.161 0.01 3 90 10 10 PHE HE2 H 7.276 0.01 3 91 10 10 PHE C C 176.568 0.1 1 92 10 10 PHE CA C 57.866 0.1 1 93 10 10 PHE CB C 39.631 0.1 1 94 10 10 PHE CD1 C 129.454 0.1 3 95 10 10 PHE N N 117.998 0.1 1 96 11 11 GLU H H 8.348 0.01 1 97 11 11 GLU HA H 4.415 0.01 1 98 11 11 GLU HB2 H 1.553 0.01 2 99 11 11 GLU HB3 H 2.160 0.01 2 100 11 11 GLU HG2 H 2.075 0.01 2 101 11 11 GLU HG3 H 2.245 0.01 2 102 11 11 GLU C C 176.571 0.1 1 103 11 11 GLU CA C 57.325 0.1 1 104 11 11 GLU CB C 30.979 0.1 1 105 11 11 GLU CG C 36.814 0.1 1 106 11 11 GLU N N 124.633 0.1 1 107 12 12 MET H H 7.728 0.01 1 108 12 12 MET HA H 4.643 0.01 1 109 12 12 MET HB2 H 1.954 0.01 2 110 12 12 MET HB3 H 2.054 0.01 2 111 12 12 MET HG2 H 2.519 0.01 2 112 12 12 MET HG3 H 2.640 0.01 2 113 12 12 MET C C 176.571 0.1 1 114 12 12 MET CA C 55.901 0.1 1 115 12 12 MET CB C 36.567 0.1 1 116 12 12 MET CG C 31.106 0.1 1 117 12 12 MET N N 117.092 0.1 1 118 13 13 LYS H H 8.960 0.01 1 119 13 13 LYS HA H 4.183 0.01 1 120 13 13 LYS HB2 H 1.886 0.01 2 121 13 13 LYS HB3 H 1.668 0.01 2 122 13 13 LYS HD2 H 1.688 0.01 2 123 13 13 LYS HD3 H 1.688 0.01 2 124 13 13 LYS HE2 H 3.055 0.01 2 125 13 13 LYS HE3 H 3.055 0.01 2 126 13 13 LYS HG2 H 1.469 0.01 2 127 13 13 LYS HG3 H 1.469 0.01 2 128 13 13 LYS C C 175.306 0.1 1 129 13 13 LYS CA C 56.085 0.1 1 130 13 13 LYS CB C 34.429 0.1 1 131 13 13 LYS CD C 29.492 0.1 1 132 13 13 LYS CE C 42.907 0.1 1 133 13 13 LYS CG C 24.656 0.1 1 134 13 13 LYS N N 126.274 0.1 1 135 14 14 LEU H H 6.360 0.01 1 136 14 14 LEU HA H 4.377 0.01 1 137 14 14 LEU HB2 H 1.545 0.01 2 138 14 14 LEU HB3 H 1.545 0.01 2 139 14 14 LEU C C 177.204 0.1 1 140 14 14 LEU CA C 55.691 0.1 1 141 14 14 LEU CB C 43.195 0.1 1 142 14 14 LEU N N 116.053 0.1 1 143 15 15 LYS H H 7.978 0.01 1 144 15 15 LYS HA H 4.271 0.01 1 145 15 15 LYS HB2 H 1.675 0.01 2 146 15 15 LYS HB3 H 1.675 0.01 2 147 15 15 LYS HD2 H 1.662 0.01 2 148 15 15 LYS HD3 H 1.662 0.01 2 149 15 15 LYS HE2 H 3.014 0.01 2 150 15 15 LYS HE3 H 3.014 0.01 2 151 15 15 LYS HG2 H 1.398 0.01 2 152 15 15 LYS HG3 H 1.511 0.01 2 153 15 15 LYS C C 171.875 0.1 1 154 15 15 LYS CA C 54.684 0.1 1 155 15 15 LYS CB C 33.771 0.1 1 156 15 15 LYS CD C 28.953 0.1 1 157 15 15 LYS CE C 42.383 0.1 1 158 15 15 LYS CG C 25.351 0.1 1 159 15 15 LYS N N 122.456 0.1 1 160 16 16 HIS H H 6.979 0.01 1 161 16 16 HIS HA H 5.510 0.01 1 162 16 16 HIS HB2 H 2.889 0.01 2 163 16 16 HIS HB3 H 3.228 0.01 2 164 16 16 HIS HD2 H 7.044 0.01 1 165 16 16 HIS C C 176.235 0.1 1 166 16 16 HIS CA C 53.804 0.1 1 167 16 16 HIS CB C 32.624 0.1 1 168 16 16 HIS CD2 C 118.619 0.1 1 169 16 16 HIS N N 112.572 0.1 1 170 17 17 TYR H H 8.820 0.01 1 171 17 17 TYR HA H 4.913 0.01 1 172 17 17 TYR HB2 H 2.796 0.01 2 173 17 17 TYR HB3 H 2.392 0.01 2 174 17 17 TYR HD1 H 6.633 0.01 3 175 17 17 TYR HD2 H 6.633 0.01 3 176 17 17 TYR HE1 H 6.520 0.01 3 177 17 17 TYR HE2 H 6.520 0.01 3 178 17 17 TYR C C 174.284 0.1 1 179 17 17 TYR CA C 57.692 0.1 1 180 17 17 TYR CB C 43.673 0.1 1 181 17 17 TYR CD1 C 133.174 0.1 3 182 17 17 TYR CD2 C 133.174 0.1 3 183 17 17 TYR CE1 C 117.767 0.1 3 184 17 17 TYR CE2 C 117.767 0.1 3 185 17 17 TYR N N 117.591 0.1 1 186 18 18 LYS H H 8.623 0.01 1 187 18 18 LYS HA H 5.315 0.01 1 188 18 18 LYS HB2 H 1.625 0.01 2 189 18 18 LYS HB3 H 1.741 0.01 2 190 18 18 LYS HD2 H 1.585 0.01 2 191 18 18 LYS HD3 H 1.586 0.01 2 192 18 18 LYS HE2 H 2.835 0.01 2 193 18 18 LYS HE3 H 2.832 0.01 2 194 18 18 LYS HG2 H 1.262 0.01 2 195 18 18 LYS HG3 H 1.152 0.01 2 196 18 18 LYS C C 175.241 0.1 1 197 18 18 LYS CA C 55.517 0.1 1 198 18 18 LYS CB C 34.125 0.1 1 199 18 18 LYS CD C 29.531 0.1 1 200 18 18 LYS CE C 41.976 0.1 1 201 18 18 LYS CG C 24.641 0.1 1 202 18 18 LYS N N 124.898 0.1 1 203 19 19 ILE H H 8.751 0.01 1 204 19 19 ILE HA H 4.843 0.01 1 205 19 19 ILE HB H 2.120 0.01 1 206 19 19 ILE HD1 H 0.640 0.01 1 207 19 19 ILE HG12 H 0.933 0.01 1 208 19 19 ILE HG13 H 1.118 0.01 1 209 19 19 ILE HG2 H 0.829 0.01 1 210 19 19 ILE C C 174.784 0.1 1 211 19 19 ILE CA C 58.782 0.1 1 212 19 19 ILE CB C 42.941 0.1 1 213 19 19 ILE CD1 C 14.730 0.1 1 214 19 19 ILE CG1 C 25.355 0.1 1 215 19 19 ILE CG2 C 17.674 0.1 1 216 19 19 ILE N N 119.065 0.1 1 217 20 20 PHE H H 7.984 0.01 1 218 20 20 PHE HA H 5.128 0.01 1 219 20 20 PHE HB2 H 2.736 0.01 2 220 20 20 PHE HB3 H 3.074 0.01 2 221 20 20 PHE HD1 H 7.298 0.01 3 222 20 20 PHE HD2 H 7.210 0.01 3 223 20 20 PHE HE1 H 7.298 0.01 3 224 20 20 PHE HE2 H 7.209 0.01 3 225 20 20 PHE C C 174.784 0.1 1 226 20 20 PHE CA C 57.410 0.1 1 227 20 20 PHE CB C 41.058 0.1 1 228 20 20 PHE CD1 C 131.564 0.1 3 229 20 20 PHE CD2 C 131.798 0.1 3 230 20 20 PHE CE1 C 131.564 0.1 3 231 20 20 PHE CE2 C 131.798 0.1 3 232 20 20 PHE N N 119.264 0.1 1 233 21 21 GLU H H 8.421 0.01 1 234 21 21 GLU HA H 3.529 0.01 1 235 21 21 GLU HB2 H 2.007 0.01 2 236 21 21 GLU HB3 H 1.882 0.01 2 237 21 21 GLU HG2 H 2.316 0.01 2 238 21 21 GLU HG3 H 2.190 0.01 2 239 21 21 GLU C C 175.225 0.1 1 240 21 21 GLU CA C 57.666 0.1 1 241 21 21 GLU CB C 30.263 0.1 1 242 21 21 GLU CG C 35.759 0.1 1 243 21 21 GLU N N 120.575 0.1 1 244 22 22 GLY H H 8.641 0.01 1 245 22 22 GLY HA2 H 3.560 0.01 2 246 22 22 GLY HA3 H 4.480 0.01 2 247 22 22 GLY C C 174.572 0.1 1 248 22 22 GLY CA C 44.782 0.1 1 249 22 22 GLY N N 115.420 0.1 1 250 23 23 MET H H 8.066 0.01 1 251 23 23 MET C C 174.572 0.1 1 252 23 23 MET CA C 54.653 0.1 1 253 23 23 MET CB C 31.681 0.1 1 254 23 23 MET N N 119.545 0.1 1 255 24 24 PRO HA H 4.286 0.01 1 256 24 24 PRO HB2 H 1.880 0.01 2 257 24 24 PRO HB3 H 2.407 0.01 2 258 24 24 PRO HD2 H 3.688 0.01 2 259 24 24 PRO HD3 H 3.870 0.01 2 260 24 24 PRO HG2 H 1.916 0.01 2 261 24 24 PRO HG3 H 2.119 0.01 2 262 24 24 PRO C C 175.110 0.1 1 263 24 24 PRO CA C 62.697 0.1 1 264 24 24 PRO CB C 33.539 0.1 1 265 24 24 PRO CD C 50.410 0.1 1 266 24 24 PRO CG C 26.474 0.1 1 267 25 25 VAL H H 7.563 0.01 1 268 25 25 VAL HA H 3.916 0.01 1 269 25 25 VAL HB H 1.637 0.01 1 270 25 25 VAL HG1 H 0.428 0.01 2 271 25 25 VAL HG2 H 0.205 0.01 2 272 25 25 VAL C C 173.350 0.1 1 273 25 25 VAL CA C 61.145 0.1 1 274 25 25 VAL CB C 34.932 0.1 1 275 25 25 VAL CG1 C 18.785 0.1 1 276 25 25 VAL CG2 C 22.227 0.1 1 277 25 25 VAL N N 115.696 0.1 1 278 26 26 THR H H 7.750 0.01 1 279 26 26 THR HA H 4.960 0.01 1 280 26 26 THR HB H 3.731 0.01 1 281 26 26 THR HG2 H 0.957 0.01 1 282 26 26 THR C C 173.514 0.1 1 283 26 26 THR CA C 61.428 0.1 1 284 26 26 THR CB C 71.185 0.1 1 285 26 26 THR CG2 C 21.964 0.1 1 286 26 26 THR N N 121.346 0.1 1 287 27 27 PHE H H 9.167 0.01 1 288 27 27 PHE HA H 4.743 0.01 1 289 27 27 PHE HB2 H 3.358 0.01 2 290 27 27 PHE HB3 H 2.796 0.01 2 291 27 27 PHE HD1 H 7.042 0.01 3 292 27 27 PHE HD2 H 7.042 0.01 3 293 27 27 PHE HE1 H 6.958 0.01 3 294 27 27 PHE HE2 H 6.958 0.01 3 295 27 27 PHE C C 175.493 0.1 1 296 27 27 PHE CA C 58.268 0.1 1 297 27 27 PHE CB C 41.737 0.1 1 298 27 27 PHE CD1 C 131.329 0.1 3 299 27 27 PHE CD2 C 131.329 0.1 3 300 27 27 PHE CE1 C 133.460 0.1 3 301 27 27 PHE CE2 C 133.460 0.1 3 302 27 27 PHE N N 126.747 0.1 1 303 28 28 THR H H 8.688 0.01 1 304 28 28 THR HA H 5.397 0.01 1 305 28 28 THR HB H 3.795 0.01 1 306 28 28 THR HG2 H 1.141 0.01 1 307 28 28 THR C C 172.515 0.1 1 308 28 28 THR CA C 61.194 0.1 1 309 28 28 THR CB C 71.219 0.1 1 310 28 28 THR CG2 C 21.932 0.1 1 311 28 28 THR N N 115.702 0.1 1 312 29 29 CYS H H 9.186 0.01 1 313 29 29 CYS HA H 4.638 0.01 1 314 29 29 CYS HB2 H 2.733 0.01 2 315 29 29 CYS HB3 H 3.343 0.01 2 316 29 29 CYS C C 171.720 0.1 1 317 29 29 CYS CA C 56.419 0.1 1 318 29 29 CYS CB C 30.440 0.1 1 319 29 29 CYS N N 120.445 0.1 1 320 30 30 ARG H H 8.700 0.01 1 321 30 30 ARG HA H 5.281 0.01 1 322 30 30 ARG HB2 H 1.745 0.01 2 323 30 30 ARG HB3 H 1.668 0.01 2 324 30 30 ARG HD2 H 3.174 0.01 2 325 30 30 ARG HD3 H 3.174 0.01 2 326 30 30 ARG HG2 H 1.944 0.01 2 327 30 30 ARG HG3 H 2.166 0.01 2 328 30 30 ARG C C 174.607 0.1 1 329 30 30 ARG CA C 56.638 0.1 1 330 30 30 ARG CB C 33.911 0.1 1 331 30 30 ARG CD C 43.578 0.1 1 332 30 30 ARG N N 120.562 0.1 1 333 31 31 VAL H H 8.727 0.01 1 334 31 31 VAL HA H 4.477 0.01 1 335 31 31 VAL HB H 1.652 0.01 1 336 31 31 VAL HG1 H 0.529 0.01 2 337 31 31 VAL HG2 H 0.630 0.01 2 338 31 31 VAL C C 172.838 0.1 1 339 31 31 VAL CA C 60.617 0.1 1 340 31 31 VAL CB C 35.138 0.1 1 341 31 31 VAL CG1 C 21.125 0.1 1 342 31 31 VAL CG2 C 21.894 0.1 1 343 31 31 VAL N N 129.049 0.1 1 344 32 32 ALA H H 8.389 0.01 1 345 32 32 ALA HA H 4.510 0.01 1 346 32 32 ALA HB H 0.620 0.01 1 347 32 32 ALA C C 175.130 0.1 1 348 32 32 ALA CA C 50.065 0.1 1 349 32 32 ALA CB C 22.224 0.1 1 350 32 32 ALA N N 130.449 0.1 1 351 33 33 GLY H H 7.740 0.01 1 352 33 33 GLY HA2 H 3.392 0.01 2 353 33 33 GLY HA3 H 3.792 0.01 2 354 33 33 GLY C C 175.130 0.1 1 355 33 33 GLY CA C 44.763 0.1 1 356 33 33 GLY N N 104.231 0.1 1 357 34 34 ASN H H 7.672 0.01 1 358 34 34 ASN HA H 4.759 0.01 1 359 34 34 ASN HB2 H 2.623 0.01 2 360 34 34 ASN HB3 H 2.889 0.01 2 361 34 34 ASN HD21 H 7.247 0.01 2 362 34 34 ASN HD22 H 6.848 0.01 2 363 34 34 ASN CA C 50.652 0.1 1 364 34 34 ASN CB C 41.586 0.1 1 365 34 34 ASN N N 119.047 0.1 1 366 34 34 ASN ND2 N 112.918 0.1 1 367 35 35 PRO HA H 4.731 0.01 1 368 35 35 PRO HB2 H 2.044 0.01 2 369 35 35 PRO HB3 H 2.497 0.01 2 370 35 35 PRO HD2 H 3.616 0.01 2 371 35 35 PRO HD3 H 3.308 0.01 2 372 35 35 PRO HG2 H 1.808 0.01 2 373 35 35 PRO HG3 H 1.958 0.01 2 374 35 35 PRO C C 175.846 0.1 1 375 35 35 PRO CA C 62.788 0.1 1 376 35 35 PRO CB C 35.254 0.1 1 377 35 35 PRO CD C 50.556 0.1 1 378 35 35 PRO CG C 25.865 0.1 1 379 36 36 LYS H H 8.610 0.01 1 380 36 36 LYS HA H 4.176 0.01 1 381 36 36 LYS HB2 H 1.663 0.01 2 382 36 36 LYS HB3 H 1.833 0.01 2 383 36 36 LYS HE2 H 2.926 0.01 2 384 36 36 LYS HE3 H 2.926 0.01 2 385 36 36 LYS HG2 H 1.470 0.01 2 386 36 36 LYS HG3 H 1.350 0.01 2 387 36 36 LYS C C 175.846 0.1 1 388 36 36 LYS CA C 54.932 0.1 1 389 36 36 LYS CB C 32.585 0.1 1 390 36 36 LYS CG C 24.656 0.1 1 391 36 36 LYS N N 122.462 0.1 1 392 37 37 PRO HA H 4.416 0.01 1 393 37 37 PRO HB2 H 1.737 0.01 2 394 37 37 PRO HB3 H 1.655 0.01 2 395 37 37 PRO HD2 H 3.646 0.01 2 396 37 37 PRO HD3 H 3.346 0.01 2 397 37 37 PRO HG2 H 1.609 0.01 2 398 37 37 PRO HG3 H 1.426 0.01 2 399 37 37 PRO C C 176.523 0.1 1 400 37 37 PRO CA C 62.746 0.1 1 401 37 37 PRO CB C 33.020 0.1 1 402 37 37 PRO CD C 51.216 0.1 1 403 37 37 PRO CG C 27.397 0.1 1 404 38 38 LYS H H 9.148 0.01 1 405 38 38 LYS HA H 4.362 0.01 1 406 38 38 LYS HB2 H 1.633 0.01 2 407 38 38 LYS HB3 H 1.777 0.01 2 408 38 38 LYS HD2 H 1.676 0.01 2 409 38 38 LYS HD3 H 1.676 0.01 2 410 38 38 LYS HE2 H 2.996 0.01 2 411 38 38 LYS HE3 H 2.996 0.01 2 412 38 38 LYS HG2 H 1.565 0.01 2 413 38 38 LYS HG3 H 1.403 0.01 2 414 38 38 LYS C C 175.305 0.1 1 415 38 38 LYS CA C 56.140 0.1 1 416 38 38 LYS CB C 34.014 0.1 1 417 38 38 LYS CD C 29.024 0.1 1 418 38 38 LYS CE C 42.421 0.1 1 419 38 38 LYS CG C 25.547 0.1 1 420 38 38 LYS N N 123.190 0.1 1 421 39 39 ILE H H 7.813 0.01 1 422 39 39 ILE HA H 5.008 0.01 1 423 39 39 ILE HB H 1.702 0.01 1 424 39 39 ILE HD1 H 0.623 0.01 1 425 39 39 ILE HG12 H 1.328 0.01 1 426 39 39 ILE HG13 H 1.328 0.01 1 427 39 39 ILE HG2 H 0.666 0.01 1 428 39 39 ILE C C 175.214 0.1 1 429 39 39 ILE CA C 57.604 0.1 1 430 39 39 ILE CB C 39.265 0.1 1 431 39 39 ILE CD1 C 11.589 0.1 1 432 39 39 ILE CG1 C 26.293 0.1 1 433 39 39 ILE CG2 C 18.159 0.1 1 434 39 39 ILE N N 120.834 0.1 1 435 40 40 TYR H H 8.958 0.01 1 436 40 40 TYR HA H 4.640 0.01 1 437 40 40 TYR HB2 H 2.711 0.01 2 438 40 40 TYR HB3 H 2.711 0.01 2 439 40 40 TYR HD1 H 7.010 0.01 3 440 40 40 TYR HD2 H 7.010 0.01 3 441 40 40 TYR HE1 H 6.656 0.01 3 442 40 40 TYR HE2 H 6.656 0.01 3 443 40 40 TYR C C 173.150 0.1 1 444 40 40 TYR CA C 56.118 0.1 1 445 40 40 TYR CB C 42.861 0.1 1 446 40 40 TYR CD1 C 133.838 0.1 3 447 40 40 TYR CD2 C 133.838 0.1 3 448 40 40 TYR CE1 C 117.437 0.1 3 449 40 40 TYR CE2 C 117.437 0.1 3 450 40 40 TYR N N 125.937 0.1 1 451 41 41 TRP H H 8.822 0.01 1 452 41 41 TRP HA H 5.514 0.01 1 453 41 41 TRP HB2 H 2.777 0.01 2 454 41 41 TRP HB3 H 2.934 0.01 2 455 41 41 TRP HD1 H 7.069 0.01 1 456 41 41 TRP HE1 H 10.431 0.01 1 457 41 41 TRP HE3 H 7.273 0.01 1 458 41 41 TRP HH2 H 6.727 0.01 1 459 41 41 TRP HZ2 H 6.818 0.01 1 460 41 41 TRP HZ3 H 6.871 0.01 1 461 41 41 TRP C C 173.150 0.1 1 462 41 41 TRP CA C 56.113 0.1 1 463 41 41 TRP CB C 32.773 0.1 1 464 41 41 TRP CD1 C 126.641 0.1 1 465 41 41 TRP CE3 C 120.312 0.1 1 466 41 41 TRP CH2 C 123.359 0.1 1 467 41 41 TRP CZ2 C 113.838 0.1 1 468 41 41 TRP CZ3 C 119.140 0.1 1 469 41 41 TRP N N 121.610 0.1 1 470 41 41 TRP NE1 N 130.182 0.1 1 471 42 42 PHE H H 9.759 0.01 1 472 42 42 PHE HA H 5.134 0.01 1 473 42 42 PHE HB2 H 2.784 0.01 2 474 42 42 PHE HB3 H 2.423 0.01 2 475 42 42 PHE HD1 H 6.835 0.01 3 476 42 42 PHE HD2 H 6.835 0.01 3 477 42 42 PHE HE1 H 6.851 0.01 3 478 42 42 PHE HE2 H 6.851 0.01 3 479 42 42 PHE C C 174.282 0.1 1 480 42 42 PHE CA C 56.043 0.1 1 481 42 42 PHE CB C 43.638 0.1 1 482 42 42 PHE CD1 C 131.564 0.1 3 483 42 42 PHE CD2 C 131.564 0.1 3 484 42 42 PHE CE1 C 131.564 0.1 3 485 42 42 PHE CE2 C 131.564 0.1 3 486 42 42 PHE N N 117.888 0.1 1 487 43 43 LYS H H 8.847 0.01 1 488 43 43 LYS HA H 4.652 0.01 1 489 43 43 LYS HB2 H 1.650 0.01 2 490 43 43 LYS HB3 H 1.186 0.01 2 491 43 43 LYS HD2 H 1.192 0.01 2 492 43 43 LYS HD3 H 1.509 0.01 2 493 43 43 LYS HE2 H 3.133 0.01 2 494 43 43 LYS HE3 H 2.456 0.01 2 495 43 43 LYS HG2 H 0.668 0.01 2 496 43 43 LYS HG3 H 0.645 0.01 2 497 43 43 LYS C C 174.282 0.1 1 498 43 43 LYS CA C 54.905 0.1 1 499 43 43 LYS CB C 34.153 0.1 1 500 43 43 LYS CD C 28.674 0.1 1 501 43 43 LYS CE C 43.850 0.1 1 502 43 43 LYS CG C 25.648 0.1 1 503 43 43 LYS N N 121.414 0.1 1 504 44 44 ASP H H 9.621 0.01 1 505 44 44 ASP HA H 4.337 0.01 1 506 44 44 ASP HB2 H 2.899 0.01 2 507 44 44 ASP HB3 H 2.662 0.01 2 508 44 44 ASP C C 176.033 0.1 1 509 44 44 ASP CA C 56.126 0.1 1 510 44 44 ASP CB C 40.419 0.1 1 511 44 44 ASP N N 128.809 0.1 1 512 45 45 GLY H H 8.306 0.01 1 513 45 45 GLY HA2 H 3.493 0.01 2 514 45 45 GLY HA3 H 4.160 0.01 2 515 45 45 GLY C C 173.530 0.1 1 516 45 45 GLY CA C 45.402 0.1 1 517 45 45 GLY N N 101.859 0.1 1 518 46 46 LYS H H 8.044 0.01 1 519 46 46 LYS HA H 4.772 0.01 1 520 46 46 LYS HB2 H 1.928 0.01 2 521 46 46 LYS HB3 H 1.928 0.01 2 522 46 46 LYS HD2 H 1.765 0.01 2 523 46 46 LYS HD3 H 1.765 0.01 2 524 46 46 LYS HE2 H 3.073 0.01 2 525 46 46 LYS HE3 H 3.073 0.01 2 526 46 46 LYS HG2 H 1.488 0.01 2 527 46 46 LYS HG3 H 1.488 0.01 2 528 46 46 LYS C C 176.025 0.1 1 529 46 46 LYS CA C 54.783 0.1 1 530 46 46 LYS CB C 33.676 0.1 1 531 46 46 LYS CD C 28.900 0.1 1 532 46 46 LYS CE C 42.309 0.1 1 533 46 46 LYS CG C 24.690 0.1 1 534 46 46 LYS N N 122.206 0.1 1 535 47 47 GLN H H 9.178 0.01 1 536 47 47 GLN HA H 3.945 0.01 1 537 47 47 GLN HB2 H 1.855 0.01 2 538 47 47 GLN HB3 H 1.855 0.01 2 539 47 47 GLN HE21 H 7.541 0.01 2 540 47 47 GLN HE22 H 6.921 0.01 2 541 47 47 GLN HG2 H 2.151 0.01 2 542 47 47 GLN HG3 H 2.151 0.01 2 543 47 47 GLN C C 176.121 0.1 1 544 47 47 GLN CA C 57.180 0.1 1 545 47 47 GLN CB C 28.566 0.1 1 546 47 47 GLN CG C 33.586 0.1 1 547 47 47 GLN N N 127.830 0.1 1 548 47 47 GLN NE2 N 110.624 0.1 1 549 48 48 ILE H H 8.734 0.01 1 550 48 48 ILE HA H 4.010 0.01 1 551 48 48 ILE HB H 1.476 0.01 1 552 48 48 ILE HD1 H 0.401 0.01 1 553 48 48 ILE HG12 H 1.385 0.01 1 554 48 48 ILE HG13 H 0.933 0.01 1 555 48 48 ILE HG2 H 0.841 0.01 1 556 48 48 ILE C C 175.265 0.1 1 557 48 48 ILE CA C 60.632 0.1 1 558 48 48 ILE CB C 38.867 0.1 1 559 48 48 ILE CD1 C 13.442 0.1 1 560 48 48 ILE CG1 C 27.654 0.1 1 561 48 48 ILE CG2 C 17.771 0.1 1 562 48 48 ILE N N 128.936 0.1 1 563 49 49 SER H H 8.701 0.01 1 564 49 49 SER HA H 4.855 0.01 1 565 49 49 SER HB2 H 3.781 0.01 2 566 49 49 SER HB3 H 4.156 0.01 2 567 49 49 SER C C 175.265 0.1 1 568 49 49 SER CA C 55.416 0.1 1 569 49 49 SER CB C 64.325 0.1 1 570 49 49 SER N N 122.862 0.1 1 571 50 50 PRO HA H 4.537 0.01 1 572 50 50 PRO HB2 H 2.061 0.01 2 573 50 50 PRO HB3 H 2.451 0.01 2 574 50 50 PRO HD2 H 4.009 0.01 2 575 50 50 PRO HD3 H 3.959 0.01 2 576 50 50 PRO HG2 H 2.090 0.01 2 577 50 50 PRO HG3 H 2.090 0.01 2 578 50 50 PRO C C 176.963 0.1 1 579 50 50 PRO CA C 64.393 0.1 1 580 50 50 PRO CB C 32.141 0.1 1 581 50 50 PRO CD C 51.371 0.1 1 582 50 50 PRO CG C 27.661 0.1 1 583 51 51 LYS H H 8.076 0.01 1 584 51 51 LYS HA H 4.474 0.01 1 585 51 51 LYS HB2 H 1.614 0.01 2 586 51 51 LYS HB3 H 2.027 0.01 2 587 51 51 LYS HD2 H 1.664 0.01 2 588 51 51 LYS HD3 H 1.664 0.01 2 589 51 51 LYS HE2 H 2.990 0.01 2 590 51 51 LYS HE3 H 2.990 0.01 2 591 51 51 LYS HG2 H 1.374 0.01 2 592 51 51 LYS HG3 H 1.423 0.01 2 593 51 51 LYS C C 176.134 0.1 1 594 51 51 LYS CA C 55.303 0.1 1 595 51 51 LYS CB C 31.939 0.1 1 596 51 51 LYS CD C 28.842 0.1 1 597 51 51 LYS CE C 42.180 0.1 1 598 51 51 LYS CG C 25.002 0.1 1 599 51 51 LYS N N 116.993 0.1 1 600 52 52 SER H H 7.708 0.01 1 601 52 52 SER HA H 4.370 0.01 1 602 52 52 SER HB2 H 3.844 0.01 2 603 52 52 SER HB3 H 3.844 0.01 2 604 52 52 SER C C 174.881 0.1 1 605 52 52 SER CA C 58.931 0.1 1 606 52 52 SER CB C 63.873 0.1 1 607 52 52 SER N N 114.547 0.1 1 608 53 53 ASP H H 8.515 0.01 1 609 53 53 ASP HA H 4.661 0.01 1 610 53 53 ASP HB2 H 2.830 0.01 2 611 53 53 ASP HB3 H 2.695 0.01 2 612 53 53 ASP C C 175.959 0.1 1 613 53 53 ASP CA C 54.393 0.1 1 614 53 53 ASP CB C 40.953 0.1 1 615 53 53 ASP N N 124.284 0.1 1 616 54 54 HIS H H 8.368 0.01 1 617 54 54 HIS HA H 4.588 0.01 1 618 54 54 HIS HB2 H 2.982 0.01 2 619 54 54 HIS HB3 H 2.481 0.01 2 620 54 54 HIS HD2 H 5.831 0.01 1 621 54 54 HIS HE1 H 5.834 0.01 1 622 54 54 HIS C C 173.977 0.1 1 623 54 54 HIS CA C 56.741 0.1 1 624 54 54 HIS CB C 31.018 0.1 1 625 54 54 HIS CD2 C 119.693 0.1 1 626 54 54 HIS CE1 C 133.038 0.1 1 627 54 54 HIS N N 118.141 0.1 1 628 55 55 TYR H H 7.851 0.01 1 629 55 55 TYR HA H 4.947 0.01 1 630 55 55 TYR HB2 H 2.638 0.01 2 631 55 55 TYR HB3 H 2.638 0.01 2 632 55 55 TYR HD1 H 6.932 0.01 3 633 55 55 TYR HD2 H 6.932 0.01 3 634 55 55 TYR HE1 H 6.846 0.01 3 635 55 55 TYR HE2 H 6.846 0.01 3 636 55 55 TYR C C 175.154 0.1 1 637 55 55 TYR CA C 55.439 0.1 1 638 55 55 TYR CB C 40.720 0.1 1 639 55 55 TYR CD1 C 133.673 0.1 3 640 55 55 TYR CD2 C 133.673 0.1 3 641 55 55 TYR CE1 C 118.905 0.1 3 642 55 55 TYR CE2 C 118.905 0.1 3 643 55 55 TYR N N 117.464 0.1 1 644 56 56 THR H H 9.132 0.01 1 645 56 56 THR HA H 4.496 0.01 1 646 56 56 THR HB H 3.811 0.01 1 647 56 56 THR HG2 H 1.130 0.01 1 648 56 56 THR C C 173.981 0.1 1 649 56 56 THR CA C 61.792 0.1 1 650 56 56 THR CB C 70.278 0.1 1 651 56 56 THR CG2 C 21.856 0.1 1 652 56 56 THR N N 117.404 0.1 1 653 57 57 ILE H H 8.970 0.01 1 654 57 57 ILE HA H 4.640 0.01 1 655 57 57 ILE HB H 1.626 0.01 1 656 57 57 ILE HD1 H 0.636 0.01 1 657 57 57 ILE HG12 H 1.268 0.01 1 658 57 57 ILE HG13 H 0.421 0.01 1 659 57 57 ILE HG2 H 0.889 0.01 1 660 57 57 ILE C C 175.472 0.1 1 661 57 57 ILE CA C 60.715 0.1 1 662 57 57 ILE CB C 40.128 0.1 1 663 57 57 ILE CD1 C 13.623 0.1 1 664 57 57 ILE CG1 C 28.097 0.1 1 665 57 57 ILE CG2 C 18.461 0.1 1 666 57 57 ILE N N 130.630 0.1 1 667 58 58 GLN H H 8.902 0.01 1 668 58 58 GLN HA H 4.830 0.01 1 669 58 58 GLN HB2 H 1.998 0.01 2 670 58 58 GLN HB3 H 1.864 0.01 2 671 58 58 GLN HE21 H 7.688 0.01 2 672 58 58 GLN HE22 H 6.644 0.01 2 673 58 58 GLN HG2 H 2.223 0.01 2 674 58 58 GLN HG3 H 2.171 0.01 2 675 58 58 GLN C C 174.728 0.1 1 676 58 58 GLN CA C 54.556 0.1 1 677 58 58 GLN CB C 33.299 0.1 1 678 58 58 GLN CG C 34.025 0.1 1 679 58 58 GLN N N 126.626 0.1 1 680 58 58 GLN NE2 N 112.409 0.1 1 681 59 59 ARG H H 8.725 0.01 1 682 59 59 ARG HA H 5.231 0.01 1 683 59 59 ARG HB2 H 1.788 0.01 2 684 59 59 ARG HB3 H 1.788 0.01 2 685 59 59 ARG HD2 H 3.023 0.01 2 686 59 59 ARG HD3 H 3.128 0.01 2 687 59 59 ARG HG2 H 1.610 0.01 2 688 59 59 ARG HG3 H 1.828 0.01 2 689 59 59 ARG C C 174.508 0.1 1 690 59 59 ARG CA C 55.877 0.1 1 691 59 59 ARG CB C 33.320 0.1 1 692 59 59 ARG CD C 44.798 0.1 1 693 59 59 ARG CG C 26.579 0.1 1 694 59 59 ARG N N 126.189 0.1 1 695 60 60 ASP H H 8.953 0.01 1 696 60 60 ASP HA H 5.084 0.01 1 697 60 60 ASP HB2 H 2.839 0.01 2 698 60 60 ASP HB3 H 3.019 0.01 2 699 60 60 ASP C C 178.055 0.1 1 700 60 60 ASP CA C 52.947 0.1 1 701 60 60 ASP CB C 43.590 0.1 1 702 60 60 ASP N N 127.083 0.1 1 703 61 61 LEU H H 8.837 0.01 1 704 61 61 LEU HA H 4.093 0.01 1 705 61 61 LEU HB2 H 1.625 0.01 2 706 61 61 LEU HB3 H 1.755 0.01 2 707 61 61 LEU HD1 H 0.957 0.01 2 708 61 61 LEU HD2 H 0.916 0.01 2 709 61 61 LEU HG H 1.784 0.01 1 710 61 61 LEU C C 177.781 0.1 1 711 61 61 LEU CA C 57.611 0.1 1 712 61 61 LEU CB C 41.833 0.1 1 713 61 61 LEU CD1 C 24.865 0.1 1 714 61 61 LEU CD2 C 23.484 0.1 1 715 61 61 LEU CG C 27.076 0.1 1 716 61 61 LEU N N 122.846 0.1 1 717 62 62 ASP H H 8.271 0.01 1 718 62 62 ASP HA H 4.492 0.01 1 719 62 62 ASP HB2 H 3.035 0.01 2 720 62 62 ASP HB3 H 2.634 0.01 2 721 62 62 ASP C C 176.337 0.1 1 722 62 62 ASP CA C 53.815 0.1 1 723 62 62 ASP CB C 39.895 0.1 1 724 62 62 ASP N N 117.276 0.1 1 725 63 63 GLY H H 7.840 0.01 1 726 63 63 GLY HA2 H 3.717 0.01 2 727 63 63 GLY HA3 H 4.475 0.01 2 728 63 63 GLY C C 176.337 0.1 1 729 63 63 GLY CA C 45.280 0.1 1 730 63 63 GLY N N 106.728 0.1 1 731 64 64 THR H H 8.455 0.01 1 732 64 64 THR HA H 4.681 0.01 1 733 64 64 THR HB H 4.322 0.01 1 734 64 64 THR HG2 H 1.211 0.01 1 735 64 64 THR C C 174.622 0.1 1 736 64 64 THR CA C 64.936 0.1 1 737 64 64 THR CB C 67.654 0.1 1 738 64 64 THR CG2 C 21.555 0.1 1 739 64 64 THR N N 121.060 0.1 1 740 65 65 CYS H H 9.084 0.01 1 741 65 65 CYS HA H 5.353 0.01 1 742 65 65 CYS HB2 H 3.240 0.01 2 743 65 65 CYS HB3 H 3.017 0.01 2 744 65 65 CYS C C 173.534 0.1 1 745 65 65 CYS CA C 58.665 0.1 1 746 65 65 CYS CB C 30.461 0.1 1 747 65 65 CYS N N 129.804 0.1 1 748 66 66 SER H H 9.180 0.01 1 749 66 66 SER HA H 5.957 0.01 1 750 66 66 SER HB2 H 3.632 0.01 2 751 66 66 SER HB3 H 3.691 0.01 2 752 66 66 SER C C 171.281 0.1 1 753 66 66 SER CA C 56.432 0.1 1 754 66 66 SER CB C 67.559 0.1 1 755 66 66 SER N N 116.548 0.1 1 756 67 67 LEU H H 8.348 0.01 1 757 67 67 LEU HA H 4.534 0.01 1 758 67 67 LEU HB2 H 0.595 0.01 2 759 67 67 LEU HB3 H -0.719 0.01 2 760 67 67 LEU HD1 H 0.325 0.01 2 761 67 67 LEU HD2 H 0.063 0.01 2 762 67 67 LEU HG H 0.794 0.01 1 763 67 67 LEU C C 174.870 0.1 1 764 67 67 LEU CA C 53.911 0.1 1 765 67 67 LEU CB C 43.710 0.1 1 766 67 67 LEU CD1 C 25.755 0.1 1 767 67 67 LEU CD2 C 25.981 0.1 1 768 67 67 LEU CG C 27.196 0.1 1 769 67 67 LEU N N 123.405 0.1 1 770 68 68 HIS H H 8.867 0.01 1 771 68 68 HIS HA H 5.844 0.01 1 772 68 68 HIS HB2 H 3.034 0.01 2 773 68 68 HIS HB3 H 2.932 0.01 2 774 68 68 HIS HD2 H 6.966 0.01 1 775 68 68 HIS C C 174.300 0.1 1 776 68 68 HIS CA C 53.654 0.1 1 777 68 68 HIS CB C 33.398 0.1 1 778 68 68 HIS CD2 C 120.217 0.1 1 779 68 68 HIS N N 124.664 0.1 1 780 69 69 THR H H 8.068 0.01 1 781 69 69 THR HA H 4.460 0.01 1 782 69 69 THR HB H 3.466 0.01 1 783 69 69 THR HG2 H 0.665 0.01 1 784 69 69 THR C C 172.530 0.1 1 785 69 69 THR CA C 60.167 0.1 1 786 69 69 THR CB C 70.153 0.1 1 787 69 69 THR CG2 C 19.977 0.1 1 788 69 69 THR N N 117.670 0.1 1 789 70 70 THR H H 8.216 0.01 1 790 70 70 THR HA H 3.856 0.01 1 791 70 70 THR HB H 4.058 0.01 1 792 70 70 THR HG2 H 1.213 0.01 1 793 70 70 THR C C 176.653 0.1 1 794 70 70 THR CA C 64.044 0.1 1 795 70 70 THR CB C 68.977 0.1 1 796 70 70 THR CG2 C 22.148 0.1 1 797 70 70 THR N N 118.475 0.1 1 798 71 71 ALA H H 7.253 0.01 1 799 71 71 ALA HA H 3.977 0.01 1 800 71 71 ALA HB H 1.174 0.01 1 801 71 71 ALA C C 176.653 0.1 1 802 71 71 ALA CA C 51.896 0.1 1 803 71 71 ALA CB C 19.723 0.1 1 804 71 71 ALA N N 122.390 0.1 1 805 72 72 SER H H 7.800 0.01 1 806 72 72 SER HA H 4.690 0.01 1 807 72 72 SER HB2 H 3.802 0.01 2 808 72 72 SER HB3 H 3.802 0.01 2 809 72 72 SER C C 175.031 0.1 1 810 72 72 SER CA C 58.950 0.1 1 811 72 72 SER CB C 64.784 0.1 1 812 72 72 SER N N 119.045 0.1 1 813 73 73 THR H H 9.398 0.01 1 814 73 73 THR HA H 4.897 0.01 1 815 73 73 THR HB H 4.559 0.01 1 816 73 73 THR HG2 H 1.144 0.01 1 817 73 73 THR C C 176.347 0.1 1 818 73 73 THR CA C 59.257 0.1 1 819 73 73 THR CB C 71.832 0.1 1 820 73 73 THR CG2 C 21.622 0.1 1 821 73 73 THR N N 114.899 0.1 1 822 74 74 LEU H H 9.006 0.01 1 823 74 74 LEU HA H 3.924 0.01 1 824 74 74 LEU HB2 H 1.565 0.01 2 825 74 74 LEU HB3 H 1.747 0.01 2 826 74 74 LEU HD1 H 0.940 0.01 2 827 74 74 LEU HD2 H 0.770 0.01 2 828 74 74 LEU HG H 1.682 0.01 1 829 74 74 LEU C C 179.806 0.1 1 830 74 74 LEU CA C 58.537 0.1 1 831 74 74 LEU CB C 40.854 0.1 1 832 74 74 LEU CD1 C 25.368 0.1 1 833 74 74 LEU CD2 C 22.745 0.1 1 834 74 74 LEU CG C 27.456 0.1 1 835 74 74 LEU N N 120.466 0.1 1 836 75 75 ASP H H 7.856 0.01 1 837 75 75 ASP HA H 4.492 0.01 1 838 75 75 ASP HB2 H 2.583 0.01 2 839 75 75 ASP HB3 H 2.466 0.01 2 840 75 75 ASP C C 175.993 0.1 1 841 75 75 ASP CA C 55.901 0.1 1 842 75 75 ASP CB C 40.922 0.1 1 843 75 75 ASP N N 116.830 0.1 1 844 76 76 ASP H H 7.789 0.01 1 845 76 76 ASP HA H 4.665 0.01 1 846 76 76 ASP HB2 H 3.137 0.01 2 847 76 76 ASP HB3 H 2.833 0.01 2 848 76 76 ASP C C 174.005 0.1 1 849 76 76 ASP CA C 55.767 0.1 1 850 76 76 ASP CB C 40.256 0.1 1 851 76 76 ASP N N 116.116 0.1 1 852 77 77 ASP H H 7.289 0.01 1 853 77 77 ASP HA H 4.416 0.01 1 854 77 77 ASP HB2 H 2.567 0.01 2 855 77 77 ASP HB3 H 2.964 0.01 2 856 77 77 ASP C C 175.906 0.1 1 857 77 77 ASP CA C 55.708 0.1 1 858 77 77 ASP CB C 44.281 0.1 1 859 77 77 ASP N N 122.481 0.1 1 860 78 78 GLY H H 9.153 0.01 1 861 78 78 GLY HA2 H 3.986 0.01 2 862 78 78 GLY HA3 H 4.874 0.01 2 863 78 78 GLY C C 171.542 0.1 1 864 78 78 GLY CA C 45.489 0.1 1 865 78 78 GLY N N 114.789 0.1 1 866 79 79 ASN H H 9.109 0.01 1 867 79 79 ASN HA H 5.348 0.01 1 868 79 79 ASN HB2 H 2.217 0.01 2 869 79 79 ASN HB3 H 2.782 0.01 2 870 79 79 ASN HD21 H 7.521 0.01 2 871 79 79 ASN HD22 H 6.688 0.01 2 872 79 79 ASN C C 171.542 0.1 1 873 79 79 ASN CA C 52.721 0.1 1 874 79 79 ASN CB C 40.677 0.1 1 875 79 79 ASN N N 119.922 0.1 1 876 79 79 ASN ND2 N 112.808 0.1 1 877 80 80 TYR H H 9.638 0.01 1 878 80 80 TYR HA H 5.195 0.01 1 879 80 80 TYR HB2 H 2.261 0.01 2 880 80 80 TYR HB3 H 2.128 0.01 2 881 80 80 TYR HD1 H 6.934 0.01 3 882 80 80 TYR HD2 H 6.934 0.01 3 883 80 80 TYR HE1 H 6.819 0.01 3 884 80 80 TYR HE2 H 6.819 0.01 3 885 80 80 TYR C C 174.093 0.1 1 886 80 80 TYR CA C 57.320 0.1 1 887 80 80 TYR CB C 38.986 0.1 1 888 80 80 TYR CD1 C 133.158 0.1 3 889 80 80 TYR CD2 C 133.158 0.1 3 890 80 80 TYR CE1 C 118.074 0.1 3 891 80 80 TYR CE2 C 118.074 0.1 3 892 80 80 TYR N N 127.484 0.1 1 893 81 81 THR H H 9.235 0.01 1 894 81 81 THR HA H 5.312 0.01 1 895 81 81 THR HB H 3.679 0.01 1 896 81 81 THR HG2 H 0.978 0.01 1 897 81 81 THR C C 172.225 0.1 1 898 81 81 THR CA C 60.806 0.1 1 899 81 81 THR CB C 72.292 0.1 1 900 81 81 THR CG2 C 21.519 0.1 1 901 81 81 THR N N 120.141 0.1 1 902 82 82 ILE H H 8.639 0.01 1 903 82 82 ILE HA H 4.939 0.01 1 904 82 82 ILE HB H 0.044 0.01 1 905 82 82 ILE HD1 H 0.254 0.01 1 906 82 82 ILE HG12 H 0.265 0.01 1 907 82 82 ILE HG13 H 0.388 0.01 1 908 82 82 ILE HG2 H 0.714 0.01 1 909 82 82 ILE C C 172.621 0.1 1 910 82 82 ILE CA C 57.293 0.1 1 911 82 82 ILE CB C 39.255 0.1 1 912 82 82 ILE CD1 C 13.476 0.1 1 913 82 82 ILE CG1 C 27.542 0.1 1 914 82 82 ILE CG2 C 16.346 0.1 1 915 82 82 ILE N N 125.710 0.1 1 916 83 83 MET H H 9.275 0.01 1 917 83 83 MET HA H 5.285 0.01 1 918 83 83 MET HB2 H 1.873 0.01 2 919 83 83 MET HB3 H 2.140 0.01 2 920 83 83 MET HG2 H 2.440 0.01 2 921 83 83 MET HG3 H 2.256 0.01 2 922 83 83 MET C C 172.951 0.1 1 923 83 83 MET CA C 53.434 0.1 1 924 83 83 MET CB C 37.806 0.1 1 925 83 83 MET CG C 31.613 0.1 1 926 83 83 MET N N 127.983 0.1 1 927 84 84 ALA H H 9.106 0.01 1 928 84 84 ALA HA H 5.671 0.01 1 929 84 84 ALA HB H 0.847 0.01 1 930 84 84 ALA C C 175.744 0.1 1 931 84 84 ALA CA C 49.157 0.1 1 932 84 84 ALA CB C 23.278 0.1 1 933 84 84 ALA N N 128.065 0.1 1 934 85 85 ALA H H 9.011 0.01 1 935 85 85 ALA HA H 5.447 0.01 1 936 85 85 ALA HB H 1.442 0.01 1 937 85 85 ALA C C 175.596 0.1 1 938 85 85 ALA CA C 51.036 0.1 1 939 85 85 ALA CB C 24.158 0.1 1 940 85 85 ALA N N 123.301 0.1 1 941 86 86 ASN H H 9.358 0.01 1 942 86 86 ASN HA H 4.961 0.01 1 943 86 86 ASN HB2 H 3.332 0.01 2 944 86 86 ASN HB3 H 2.519 0.01 2 945 86 86 ASN C C 175.596 0.1 1 946 86 86 ASN CA C 51.834 0.1 1 947 86 86 ASN CB C 40.022 0.1 1 948 86 86 ASN N N 124.198 0.1 1 949 87 87 PRO HA H 4.326 0.01 1 950 87 87 PRO HB2 H 1.772 0.01 2 951 87 87 PRO HB3 H 2.429 0.01 2 952 87 87 PRO HD2 H 3.973 0.01 2 953 87 87 PRO HG2 H 2.092 0.01 2 954 87 87 PRO C C 176.830 0.1 1 955 87 87 PRO CA C 66.034 0.1 1 956 87 87 PRO CB C 31.540 0.1 1 957 87 87 PRO CD C 51.205 0.1 1 958 87 87 PRO CG C 28.223 0.1 1 959 88 88 GLN H H 7.861 0.01 1 960 88 88 GLN HA H 4.324 0.01 1 961 88 88 GLN HB2 H 1.972 0.01 2 962 88 88 GLN HB3 H 2.155 0.01 2 963 88 88 GLN HE21 H 7.379 0.01 2 964 88 88 GLN HE22 H 6.708 0.01 2 965 88 88 GLN HG2 H 2.116 0.01 2 966 88 88 GLN HG3 H 2.156 0.01 2 967 88 88 GLN C C 176.244 0.1 1 968 88 88 GLN CA C 55.436 0.1 1 969 88 88 GLN CB C 29.424 0.1 1 970 88 88 GLN CG C 35.141 0.1 1 971 88 88 GLN N N 112.550 0.1 1 972 88 88 GLN NE2 N 111.490 0.1 1 973 89 89 GLY H H 7.944 0.01 1 974 89 89 GLY HA2 H 4.027 0.01 2 975 89 89 GLY HA3 H 4.405 0.01 2 976 89 89 GLY C C 169.679 0.1 1 977 89 89 GLY CA C 45.963 0.1 1 978 89 89 GLY N N 107.020 0.1 1 979 90 90 ARG H H 8.236 0.01 1 980 90 90 ARG HA H 5.571 0.01 1 981 90 90 ARG HB2 H 1.740 0.01 2 982 90 90 ARG HB3 H 1.818 0.01 2 983 90 90 ARG HD2 H 3.146 0.01 2 984 90 90 ARG HD3 H 3.146 0.01 2 985 90 90 ARG HG2 H 1.585 0.01 2 986 90 90 ARG HG3 H 1.585 0.01 2 987 90 90 ARG C C 175.104 0.1 1 988 90 90 ARG CA C 54.536 0.1 1 989 90 90 ARG CB C 33.846 0.1 1 990 90 90 ARG CD C 43.911 0.1 1 991 90 90 ARG CG C 26.346 0.1 1 992 90 90 ARG N N 116.204 0.1 1 993 91 91 VAL H H 8.812 0.01 1 994 91 91 VAL HA H 4.763 0.01 1 995 91 91 VAL HB H 2.184 0.01 1 996 91 91 VAL HG1 H 0.677 0.01 2 997 91 91 VAL HG2 H 0.778 0.01 2 998 91 91 VAL C C 173.351 0.1 1 999 91 91 VAL CA C 60.163 0.1 1 1000 91 91 VAL CB C 36.096 0.1 1 1001 91 91 VAL CG1 C 19.957 0.1 1 1002 91 91 VAL CG2 C 21.666 0.1 1 1003 91 91 VAL N N 118.314 0.1 1 1004 92 92 SER H H 8.583 0.01 1 1005 92 92 SER HA H 6.093 0.01 1 1006 92 92 SER HB2 H 3.644 0.01 2 1007 92 92 SER HB3 H 3.644 0.01 2 1008 92 92 SER C C 173.830 0.1 1 1009 92 92 SER CA C 57.202 0.1 1 1010 92 92 SER CB C 67.088 0.1 1 1011 92 92 SER N N 115.790 0.1 1 1012 93 93 CYS H H 8.699 0.01 1 1013 93 93 CYS HA H 4.845 0.01 1 1014 93 93 CYS HB2 H 2.532 0.01 2 1015 93 93 CYS HB3 H 2.759 0.01 2 1016 93 93 CYS C C 173.411 0.1 1 1017 93 93 CYS CA C 57.566 0.1 1 1018 93 93 CYS CB C 29.858 0.1 1 1019 93 93 CYS N N 116.354 0.1 1 1020 94 94 THR H H 8.426 0.01 1 1021 94 94 THR HA H 5.608 0.01 1 1022 94 94 THR HB H 3.723 0.01 1 1023 94 94 THR HG2 H 1.049 0.01 1 1024 94 94 THR C C 173.411 0.1 1 1025 94 94 THR CA C 61.640 0.1 1 1026 94 94 THR CB C 72.427 0.1 1 1027 94 94 THR CG2 C 21.596 0.1 1 1028 94 94 THR N N 117.458 0.1 1 1029 95 95 GLY H H 9.736 0.01 1 1030 95 95 GLY HA2 H 3.684 0.01 2 1031 95 95 GLY HA3 H 4.605 0.01 2 1032 95 95 GLY CA C 44.345 0.1 1 1033 95 95 GLY N N 117.541 0.1 1 1034 96 96 ARG H H 10.370 0.01 1 1035 96 96 ARG HA H 5.212 0.01 1 1036 96 96 ARG HB2 H 1.773 0.01 2 1037 96 96 ARG HB3 H 1.832 0.01 2 1038 96 96 ARG HD2 H 3.103 0.01 2 1039 96 96 ARG HD3 H 3.156 0.01 2 1040 96 96 ARG HG2 H 1.434 0.01 2 1041 96 96 ARG HG3 H 1.434 0.01 2 1042 96 96 ARG CA C 55.366 0.1 1 1043 96 96 ARG CB C 32.328 0.1 1 1044 96 96 ARG CD C 43.850 0.1 1 1045 96 96 ARG CG C 27.983 0.1 1 1046 96 96 ARG N N 127.360 0.1 1 1047 97 97 LEU H H 9.578 0.01 1 1048 97 97 LEU HA H 5.425 0.01 1 1049 97 97 LEU HB2 H 2.705 0.01 2 1050 97 97 LEU HB3 H 1.691 0.01 2 1051 97 97 LEU HD1 H 0.854 0.01 2 1052 97 97 LEU HD2 H 0.855 0.01 2 1053 97 97 LEU HG H 1.346 0.01 1 1054 97 97 LEU C C 175.999 0.1 1 1055 97 97 LEU CA C 53.363 0.1 1 1056 97 97 LEU CB C 45.667 0.1 1 1057 97 97 LEU CD1 C 24.366 0.1 1 1058 97 97 LEU CD2 C 25.940 0.1 1 1059 97 97 LEU CG C 27.858 0.1 1 1060 97 97 LEU N N 126.535 0.1 1 1061 98 98 MET H H 9.004 0.01 1 1062 98 98 MET HA H 5.206 0.01 1 1063 98 98 MET HB2 H 1.913 0.01 2 1064 98 98 MET HB3 H 2.043 0.01 2 1065 98 98 MET HG2 H 2.482 0.01 2 1066 98 98 MET HG3 H 2.568 0.01 2 1067 98 98 MET C C 174.581 0.1 1 1068 98 98 MET CA C 54.108 0.1 1 1069 98 98 MET CB C 34.950 0.1 1 1070 98 98 MET CG C 32.351 0.1 1 1071 98 98 MET N N 129.309 0.1 1 1072 99 99 VAL H H 9.399 0.01 1 1073 99 99 VAL HA H 4.376 0.01 1 1074 99 99 VAL HB H 1.986 0.01 1 1075 99 99 VAL HG1 H 0.773 0.01 2 1076 99 99 VAL HG2 H 0.603 0.01 2 1077 99 99 VAL C C 174.732 0.1 1 1078 99 99 VAL CA C 61.073 0.1 1 1079 99 99 VAL CB C 33.450 0.1 1 1080 99 99 VAL CG1 C 20.310 0.1 1 1081 99 99 VAL CG2 C 21.320 0.1 1 1082 99 99 VAL N N 125.348 0.1 1 1083 100 100 GLN H H 8.771 0.01 1 1084 100 100 GLN HA H 4.474 0.01 1 1085 100 100 GLN HB2 H 1.818 0.01 2 1086 100 100 GLN HB3 H 1.585 0.01 2 1087 100 100 GLN HE21 H 6.815 0.01 2 1088 100 100 GLN HE22 H 6.707 0.01 2 1089 100 100 GLN HG2 H 2.131 0.01 2 1090 100 100 GLN HG3 H 2.130 0.01 2 1091 100 100 GLN C C 175.093 0.1 1 1092 100 100 GLN CA C 54.296 0.1 1 1093 100 100 GLN CB C 31.416 0.1 1 1094 100 100 GLN CG C 34.435 0.1 1 1095 100 100 GLN N N 125.988 0.1 1 1096 100 100 GLN NE2 N 110.959 0.1 1 1097 101 101 ALA H H 8.728 0.01 1 1098 101 101 ALA HA H 4.533 0.01 1 1099 101 101 ALA HB H 1.460 0.01 1 1100 101 101 ALA C C 178.226 0.1 1 1101 101 101 ALA CA C 52.333 0.1 1 1102 101 101 ALA CB C 19.513 0.1 1 1103 101 101 ALA N N 127.328 0.1 1 1104 102 102 VAL H H 9.046 0.01 1 1105 102 102 VAL HA H 4.102 0.01 1 1106 102 102 VAL HB H 2.055 0.01 1 1107 102 102 VAL HG1 H 1.002 0.01 2 1108 102 102 VAL HG2 H 0.914 0.01 2 1109 102 102 VAL C C 178.226 0.1 1 1110 102 102 VAL CA C 62.975 0.1 1 1111 102 102 VAL CB C 32.938 0.1 1 1112 102 102 VAL CG1 C 21.288 0.1 1 1113 102 102 VAL CG2 C 21.307 0.1 1 1114 102 102 VAL N N 119.855 0.1 1 1115 103 103 ASN H H 8.419 0.01 1 1116 103 103 ASN HD21 H 7.618 0.01 2 1117 103 103 ASN HD22 H 6.898 0.01 2 1118 103 103 ASN C C 171.163 0.1 1 1119 103 103 ASN CA C 53.348 0.1 1 1120 103 103 ASN CB C 38.692 0.1 1 1121 103 103 ASN N N 121.224 0.1 1 1122 103 103 ASN ND2 N 112.796 0.1 1 1123 104 104 GLN H H 8.425 0.01 1 1124 104 104 GLN HA H 4.295 0.01 1 1125 104 104 GLN HB2 H 2.152 0.01 2 1126 104 104 GLN HB3 H 1.973 0.01 2 1127 104 104 GLN HE21 H 7.521 0.01 2 1128 104 104 GLN HE22 H 6.856 0.01 2 1129 104 104 GLN HG2 H 2.353 0.01 2 1130 104 104 GLN HG3 H 2.353 0.01 2 1131 104 104 GLN C C 176.014 0.1 1 1132 104 104 GLN CA C 56.026 0.1 1 1133 104 104 GLN CB C 29.391 0.1 1 1134 104 104 GLN CG C 33.841 0.1 1 1135 104 104 GLN N N 121.018 0.1 1 1136 104 104 GLN NE2 N 112.530 0.1 1 1137 105 105 ARG H H 8.333 0.01 1 1138 105 105 ARG HA H 4.246 0.01 1 1139 105 105 ARG HB2 H 1.841 0.01 2 1140 105 105 ARG HB3 H 1.729 0.01 2 1141 105 105 ARG HD2 H 3.182 0.01 2 1142 105 105 ARG HD3 H 3.182 0.01 2 1143 105 105 ARG HG2 H 1.620 0.01 2 1144 105 105 ARG HG3 H 1.620 0.01 2 1145 105 105 ARG C C 176.871 0.1 1 1146 105 105 ARG CA C 56.609 0.1 1 1147 105 105 ARG CB C 30.594 0.1 1 1148 105 105 ARG CD C 43.397 0.1 1 1149 105 105 ARG CG C 27.036 0.1 1 1150 105 105 ARG N N 122.041 0.1 1 1151 106 106 GLY H H 8.447 0.01 1 1152 106 106 GLY HA2 H 3.950 0.01 2 1153 106 106 GLY HA3 H 3.950 0.01 2 1154 106 106 GLY C C 173.918 0.1 1 1155 106 106 GLY CA C 45.336 0.1 1 1156 106 106 GLY N N 110.261 0.1 1 1157 107 107 ARG H H 8.146 0.01 1 1158 107 107 ARG HA H 4.441 0.01 1 1159 107 107 ARG HB2 H 1.760 0.01 2 1160 107 107 ARG HB3 H 1.908 0.01 2 1161 107 107 ARG HD2 H 3.174 0.01 2 1162 107 107 ARG HD3 H 3.174 0.01 2 1163 107 107 ARG HG2 H 1.622 0.01 2 1164 107 107 ARG HG3 H 1.622 0.01 2 1165 107 107 ARG C C 175.600 0.1 1 1166 107 107 ARG CA C 56.014 0.1 1 1167 107 107 ARG CB C 31.030 0.1 1 1168 107 107 ARG CD C 43.407 0.1 1 1169 107 107 ARG CG C 29.928 0.1 1 1170 107 107 ARG N N 120.819 0.1 1 1171 108 108 SER H H 8.031 0.01 1 1172 108 108 SER HA H 4.264 0.01 1 1173 108 108 SER HB2 H 3.829 0.01 2 1174 108 108 SER HB3 H 3.829 0.01 2 1175 108 108 SER C C 175.600 0.1 1 1176 108 108 SER CA C 59.993 0.1 1 1177 108 108 SER CB C 64.804 0.1 1 1178 108 108 SER N N 122.744 0.1 1 stop_ save_