data_16666 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific 1H, 15N and 13C resonance assignments of Sugarcane defensin 5 (Sd5). ; _BMRB_accession_number 16666 _BMRB_flat_file_name bmr16666.str _Entry_type original _Submission_date 2010-01-05 _Accession_date 2010-01-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'de Paula' Viviane . . 2 Almeida Fabio . . 3 Valente 'Ana Paula' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 405 "13C chemical shifts" 270 "15N chemical shifts" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-03-31 original author . stop_ _Original_release_date 2011-03-31 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Portrayal of complex dynamic properties of sugarcane defensin 5 by NMR: multiple motions associated with membrane interaction' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21220113 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'De Paula' Viviane . . 2 Razzera Guilherme . . 3 Barreto-Bergter Eliana . . 4 Almeida Fabio C.L. . 5 Valente 'Ana Paula' . . stop_ _Journal_abbreviation Structure _Journal_name_full Structure _Journal_volume 19 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 26 _Page_last 36 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Sd5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Sd5 $Sd5-_Sugarcane_defensin_5 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Sd5-_Sugarcane_defensin_5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sd5-_Sugarcane_defensin_5 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'antimicrobial peptide' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; HTPTPTPICKSRSHEYKGRC IQDMDCNAACVKESESYTGG FCNGRPPFKQCFCTKPCKRE RAAATLRWPGL ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 THR 3 PRO 4 THR 5 PRO 6 THR 7 PRO 8 ILE 9 CYS 10 LYS 11 SER 12 ARG 13 SER 14 HIS 15 GLU 16 TYR 17 LYS 18 GLY 19 ARG 20 CYS 21 ILE 22 GLN 23 ASP 24 MET 25 ASP 26 CYS 27 ASN 28 ALA 29 ALA 30 CYS 31 VAL 32 LYS 33 GLU 34 SER 35 GLU 36 SER 37 TYR 38 THR 39 GLY 40 GLY 41 PHE 42 CYS 43 ASN 44 GLY 45 ARG 46 PRO 47 PRO 48 PHE 49 LYS 50 GLN 51 CYS 52 PHE 53 CYS 54 THR 55 LYS 56 PRO 57 CYS 58 LYS 59 ARG 60 GLU 61 ARG 62 ALA 63 ALA 64 ALA 65 THR 66 LEU 67 ARG 68 TRP 69 PRO 70 GLY 71 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 2KSK "Solution Structure Of Sugarcane Defensin 5" 100.00 71 100.00 100.00 1.10e-44 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Sd5-_Sugarcane_defensin_5 Sugarcane 4547 Eukaryota Viridiplantae Saccharum officinarum 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 $Sd5-_Sugarcane_defensin_5 'recombinant technology' . Escherichia coli . pet28a 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 $Sd5-_Sugarcane_defensin_5 1 mM '[U-99% 15N]' 'sodium phophate buffer' 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Sd5-_Sugarcane_defensin_5 0.7 mM '[U-99% 13C; U-99% 15N]' 'sodium phophate buffer' 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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 'ionic strength' 0.005 . M pH 4.0 . pH pressure 1 . atm temperature 298 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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 '3D HNCACB' '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Sd5 _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 HIS H H 8.126 0.02 1 2 1 1 HIS HA H 4.775 0.02 1 3 1 1 HIS HB2 H 3.23 0.02 2 4 1 1 HIS HB3 H 3.146 0.02 2 5 1 1 HIS HD2 H 7.28 0.02 1 6 1 1 HIS HE1 H 8.578 0.02 1 7 1 1 HIS C C 174.1 0.3 1 8 1 1 HIS CA C 52.721 0.3 1 9 1 1 HIS CB C 28.853 0.3 1 10 1 1 HIS CD2 C 119.735 0.3 1 11 1 1 HIS CE1 C 136.19 0.3 1 12 1 1 HIS N N 123.4 0.3 1 13 2 2 THR H H 8.272 0.02 1 14 2 2 THR HA H 4.328 0.02 1 15 2 2 THR HB H 4.18 0.02 1 16 2 2 THR HG2 H 1.251 0.02 1 17 2 2 THR CA C 59.744 0.3 1 18 2 2 THR CB C 69.542 0.3 1 19 2 2 THR CG2 C 22.327 0.3 1 20 2 2 THR N N 119.224 0.3 1 21 3 3 PRO HA H 4.464 0.02 1 22 3 3 PRO HB2 H 2.274 0.02 2 23 3 3 PRO HB3 H 1.879 0.02 2 24 3 3 PRO HD2 H 3.72 0.02 2 25 3 3 PRO HD3 H 3.876 0.02 2 26 3 3 PRO HG2 H 2.171 0.02 2 27 3 3 PRO HG3 H 2.004 0.02 2 28 3 3 PRO C C 176.53 0.3 1 29 3 3 PRO CA C 62.741 0.3 1 30 3 3 PRO CB C 31.889 0.3 1 31 3 3 PRO CD C 50.774 0.3 1 32 3 3 PRO CG C 27.1 0.3 1 33 4 4 THR H H 8.371 0.02 1 34 4 4 THR HA H 4.54 0.02 1 35 4 4 THR HB H 4.107 0.02 1 36 4 4 THR HG2 H 1.267 0.02 1 37 4 4 THR CA C 59.841 0.3 1 38 4 4 THR CB C 69.736 0.3 1 39 4 4 THR CG2 C 21.149 0.3 1 40 4 4 THR N N 118.217 0.3 1 41 5 5 PRO HA H 4.463 0.02 1 42 5 5 PRO HB2 H 2.301 0.02 2 43 5 5 PRO HB3 H 1.877 0.02 2 44 5 5 PRO HD2 H 3.7 0.02 2 45 5 5 PRO HD3 H 3.855 0.02 2 46 5 5 PRO HG2 H 2.171 0.02 2 47 5 5 PRO HG3 H 2.004 0.02 2 48 5 5 PRO C C 176.44 0.3 1 49 5 5 PRO CA C 62.643 0.3 1 50 5 5 PRO CB C 31.731 0.3 1 51 5 5 PRO CD C 50.774 0.3 1 52 5 5 PRO CG C 27.1 0.3 1 53 6 6 THR H H 8.336 0.02 1 54 6 6 THR HA H 4.502 0.02 1 55 6 6 THR HB H 4.108 0.02 1 56 6 6 THR HG2 H 1.258 0.02 1 57 6 6 THR CA C 59.841 0.3 1 58 6 6 THR CB C 69.562 0.3 1 59 6 6 THR CG2 C 22.222 0.3 1 60 6 6 THR N N 118.61 0.3 1 61 7 7 PRO HA H 4.459 0.02 1 62 7 7 PRO HB2 H 2.279 0.02 2 63 7 7 PRO HB3 H 1.888 0.02 2 64 7 7 PRO HD2 H 3.719 0.02 2 65 7 7 PRO HD3 H 3.876 0.02 2 66 7 7 PRO HG2 H 2.173 0.02 2 67 7 7 PRO HG3 H 1.993 0.02 2 68 7 7 PRO C C 175.74 0.3 1 69 7 7 PRO CA C 62.823 0.3 1 70 7 7 PRO CB C 32.009 0.3 1 71 7 7 PRO CD C 50.779 0.3 1 72 7 7 PRO CG C 27.1 0.3 1 73 8 8 ILE H H 8.33 0.02 1 74 8 8 ILE HA H 4.431 0.02 1 75 8 8 ILE HB H 1.809 0.02 1 76 8 8 ILE HD1 H 0.733 0.02 1 77 8 8 ILE HG12 H 1.453 0.02 2 78 8 8 ILE HG13 H 1.303 0.02 2 79 8 8 ILE HG2 H 0.835 0.02 1 80 8 8 ILE C C 175.74 0.3 1 81 8 8 ILE CA C 59.377 0.3 1 82 8 8 ILE CB C 38.832 0.3 1 83 8 8 ILE CD1 C 11.266 0.3 1 84 8 8 ILE CG1 C 26.549 0.3 1 85 8 8 ILE CG2 C 17.64 0.3 1 86 8 8 ILE N N 121.651 0.3 1 87 9 9 CYS H H 9.155 0.02 1 88 9 9 CYS HA H 5.022 0.02 1 89 9 9 CYS HB2 H 3.073 0.02 2 90 9 9 CYS HB3 H 2.933 0.02 2 91 9 9 CYS C C 172.69 0.3 1 92 9 9 CYS CA C 59.416 0.3 1 93 9 9 CYS CB C 40.903 0.3 1 94 9 9 CYS N N 127.957 0.3 1 95 10 10 LYS H H 8.684 0.3 1 96 10 10 LYS HA H 5.66 0.02 1 97 10 10 LYS HB2 H 1.708 0.02 2 98 10 10 LYS HB3 H 1.708 0.02 2 99 10 10 LYS HD2 H 1.493 0.02 2 100 10 10 LYS HD3 H 1.493 0.02 2 101 10 10 LYS HE2 H 2.607 0.02 2 102 10 10 LYS HE3 H 2.697 0.02 2 103 10 10 LYS HG2 H 1.222 0.02 2 104 10 10 LYS HG3 H 1.222 0.02 2 105 10 10 LYS C C 175.27 0.3 1 106 10 10 LYS CA C 54.067 0.3 1 107 10 10 LYS CB C 36.005 0.3 1 108 10 10 LYS CD C 29.446 0.3 1 109 10 10 LYS CE C 41.437 0.3 1 110 10 10 LYS CG C 23.582 0.3 1 111 10 10 LYS N N 119.148 0.3 1 112 11 11 SER H H 8.843 0.02 1 113 11 11 SER HA H 4.691 0.02 1 114 11 11 SER HB2 H 3.776 0.02 2 115 11 11 SER HB3 H 3.591 0.02 2 116 11 11 SER C C 172.46 0.3 1 117 11 11 SER CA C 56.794 0.3 1 118 11 11 SER CB C 65.604 0.3 1 119 11 11 SER N N 115.616 0.3 1 120 12 12 ARG H H 8.782 0.02 1 121 12 12 ARG HA H 5.373 0.02 1 122 12 12 ARG HB2 H 2.32 0.02 2 123 12 12 ARG HB3 H 1.882 0.02 2 124 12 12 ARG HD2 H 3.248 0.02 2 125 12 12 ARG HD3 H 3.248 0.02 2 126 12 12 ARG HG2 H 1.333 0.02 2 127 12 12 ARG HG3 H 1.333 0.02 2 128 12 12 ARG C C 176.46 0.3 1 129 12 12 ARG CA C 56.533 0.3 1 130 12 12 ARG CB C 29.707 0.3 1 131 12 12 ARG N N 126.61 0.3 1 132 13 13 SER H H 8.025 0.02 1 133 13 13 SER HA H 4.425 0.02 1 134 13 13 SER HB2 H 3.812 0.02 2 135 13 13 SER HB3 H 3.812 0.02 2 136 13 13 SER C C 175.74 0.3 1 137 13 13 SER CA C 58.091 0.3 1 138 13 13 SER CB C 63.644 0.3 1 139 13 13 SER N N 119.212 0.3 1 140 14 14 HIS H H 8.681 0.02 1 141 14 14 HIS HA H 4.74 0.02 1 142 14 14 HIS HB2 H 3.187 0.02 2 143 14 14 HIS HB3 H 3.187 0.02 2 144 14 14 HIS HD2 H 7.28 0.02 1 145 14 14 HIS HE1 H 8.578 0.02 1 146 14 14 HIS C C 174.09 0.3 1 147 14 14 HIS CA C 54.966 0.3 1 148 14 14 HIS CB C 28.817 0.3 1 149 14 14 HIS CD2 C 119.742 0.3 1 150 14 14 HIS CE1 C 136.19 0.3 1 151 14 14 HIS N N 120.434 0.3 1 152 15 15 GLU H H 8.369 0.02 1 153 15 15 GLU HA H 4.175 0.02 1 154 15 15 GLU HB2 H 2.132 0.02 2 155 15 15 GLU HB3 H 2.132 0.02 2 156 15 15 GLU HG2 H 2.683 0.02 2 157 15 15 GLU HG3 H 2.683 0.02 2 158 15 15 GLU C C 174.118 0.3 1 159 15 15 GLU CA C 55.467 0.3 1 160 15 15 GLU CB C 31.489 0.3 1 161 15 15 GLU CG C 31.54 0.3 1 162 15 15 GLU N N 121.375 0.3 1 163 16 16 TYR H H 8.15 0.02 1 164 16 16 TYR HA H 4.119 0.02 1 165 16 16 TYR HB2 H 2.838 0.02 2 166 16 16 TYR HB3 H 2.73 0.02 2 167 16 16 TYR HD1 H 6.957 0.02 3 168 16 16 TYR HD2 H 6.957 0.02 3 169 16 16 TYR HE1 H 6.515 0.02 3 170 16 16 TYR HE2 H 6.515 0.02 3 171 16 16 TYR C C 176.2 0.3 1 172 16 16 TYR CA C 59.41 0.3 1 173 16 16 TYR CB C 37.94 0.3 1 174 16 16 TYR CD2 C 133.015 0.3 3 175 16 16 TYR CE2 C 117.641 0.3 3 176 16 16 TYR N N 121.4 0.3 1 177 17 17 LYS H H 7.96 0.02 1 178 17 17 LYS HA H 4.386 0.02 1 179 17 17 LYS HB2 H 1.727 0.02 2 180 17 17 LYS HB3 H 1.727 0.02 2 181 17 17 LYS HD2 H 1.473 0.02 2 182 17 17 LYS HD3 H 1.473 0.02 2 183 17 17 LYS HE2 H 3.263 0.02 2 184 17 17 LYS HE3 H 3.14 0.02 2 185 17 17 LYS HG2 H 1.251 0.02 2 186 17 17 LYS HG3 H 1.325 0.02 2 187 17 17 LYS C C 175.28 0.3 1 188 17 17 LYS CA C 54.744 0.3 1 189 17 17 LYS CB C 33.495 0.3 1 190 17 17 LYS CD C 29.414 0.3 1 191 17 17 LYS CE C 43.009 0.3 1 192 17 17 LYS CG C 23.979 0.3 1 193 17 17 LYS N N 128.295 0.3 1 194 18 18 GLY H H 7.254 0.02 1 195 18 18 GLY HA2 H 3.917 0.02 2 196 18 18 GLY HA3 H 3.917 0.02 2 197 18 18 GLY CA C 43.911 0.3 1 198 18 18 GLY N N 107.644 0.3 1 199 20 20 CYS C C 176.2 0.3 1 200 21 21 ILE H H 8.372 0.02 1 201 21 21 ILE HA H 4.072 0.02 1 202 21 21 ILE HB H 1.902 0.02 1 203 21 21 ILE HD1 H 0.83 0.02 1 204 21 21 ILE HG12 H 1.14 0.02 2 205 21 21 ILE HG13 H 1.14 0.02 2 206 21 21 ILE HG2 H 0.94 0.02 1 207 21 21 ILE C C 175.97 0.3 1 208 21 21 ILE CA C 62.349 0.3 1 209 21 21 ILE CB C 38.455 0.3 1 210 21 21 ILE CD1 C 11.999 0.3 1 211 21 21 ILE CG1 C 27.211 0.3 1 212 21 21 ILE CG2 C 17.369 0.3 1 213 21 21 ILE N N 111.5 0.3 1 214 22 22 GLN H H 8.117 0.02 1 215 22 22 GLN HA H 4.687 0.02 1 216 22 22 GLN HB2 H 2.076 0.02 2 217 22 22 GLN HB3 H 2.007 0.02 2 218 22 22 GLN HE21 H 7.59 0.02 2 219 22 22 GLN HE22 H 6.89 0.02 2 220 22 22 GLN HG2 H 2.329 0.02 2 221 22 22 GLN HG3 H 2.172 0.02 2 222 22 22 GLN C C 175.74 0.3 1 223 22 22 GLN CA C 53.849 0.3 1 224 22 22 GLN CB C 29.97 0.3 1 225 22 22 GLN CG C 34.335 0.3 1 226 22 22 GLN N N 117.946 0.3 1 227 22 22 GLN NE2 N 111.602 0.3 1 228 23 23 ASP H H 8.92 0.02 1 229 23 23 ASP HA H 4.368 0.02 1 230 23 23 ASP HB2 H 2.898 0.02 2 231 23 23 ASP HB3 H 2.682 0.02 2 232 23 23 ASP C C 178.46 0.3 1 233 23 23 ASP CA C 57.897 0.3 1 234 23 23 ASP CB C 40.497 0.3 1 235 23 23 ASP N N 125.331 0.3 1 236 24 24 MET H H 8.909 0.02 1 237 24 24 MET HA H 4.306 0.02 1 238 24 24 MET HB2 H 2.118 0.02 2 239 24 24 MET HB3 H 2.657 0.02 2 240 24 24 MET HE H 1.915 0.02 1 241 24 24 MET HG2 H 2.326 0.02 2 242 24 24 MET HG3 H 2.326 0.02 2 243 24 24 MET C C 177.92 0.3 1 244 24 24 MET CA C 58.483 0.3 1 245 24 24 MET CB C 31.329 0.3 1 246 24 24 MET CE C 16.594 0.3 1 247 24 24 MET CG C 34.273 0.3 1 248 24 24 MET N N 116.279 0.3 1 249 25 25 ASP H H 7.599 0.02 1 250 25 25 ASP HA H 4.582 0.02 1 251 25 25 ASP HB2 H 3.128 0.02 2 252 25 25 ASP HB3 H 2.974 0.02 2 253 25 25 ASP C C 178.37 0.3 1 254 25 25 ASP CA C 56.536 0.3 1 255 25 25 ASP CB C 40.302 0.3 1 256 25 25 ASP N N 119.522 0.3 1 257 26 26 CYS H H 7.014 0.02 1 258 26 26 CYS HA H 4.12 0.02 1 259 26 26 CYS HB2 H 2.531 0.02 2 260 26 26 CYS HB3 H 2.423 0.02 2 261 26 26 CYS CA C 56.702 0.3 1 262 26 26 CYS CB C 35.436 0.3 1 263 26 26 CYS N N 119.9 0.3 1 264 27 27 ASN H H 8.214 0.02 1 265 27 27 ASN HA H 3.792 0.02 1 266 27 27 ASN HB2 H 2.976 0.02 2 267 27 27 ASN HB3 H 2.85 0.02 2 268 27 27 ASN HD21 H 7.6 0.02 2 269 27 27 ASN HD22 H 7.176 0.02 2 270 27 27 ASN C C 175.87 0.3 1 271 27 27 ASN CA C 57.913 0.3 1 272 27 27 ASN CB C 39.953 0.3 1 273 27 27 ASN ND2 N 113.738 0.3 1 274 28 28 ALA H H 7.852 0.02 1 275 28 28 ALA HA H 4.085 0.02 1 276 28 28 ALA HB H 1.545 0.02 1 277 28 28 ALA C C 179.95 0.3 1 278 28 28 ALA CA C 54.578 0.3 1 279 28 28 ALA CB C 18.017 0.3 1 280 28 28 ALA N N 117.061 0.3 1 281 29 29 ALA H H 7.486 0.02 1 282 29 29 ALA HA H 4.185 0.02 1 283 29 29 ALA HB H 1.723 0.02 1 284 29 29 ALA C C 180.58 0.3 1 285 29 29 ALA CA C 54.399 0.3 1 286 29 29 ALA CB C 18.384 0.3 1 287 29 29 ALA N N 119.548 0.3 1 288 30 30 CYS H H 8.568 0.02 1 289 30 30 CYS HA H 4.43 0.02 1 290 30 30 CYS HB2 H 2.496 0.02 2 291 30 30 CYS HB3 H 2.791 0.02 2 292 30 30 CYS C C 176.2 0.3 1 293 30 30 CYS CA C 59.957 0.3 1 294 30 30 CYS CB C 38.415 0.3 1 295 30 30 CYS N N 118.405 0.3 1 296 31 31 VAL H H 7.862 0.02 1 297 31 31 VAL HA H 4.077 0.02 1 298 31 31 VAL HB H 2.206 0.02 1 299 31 31 VAL HG1 H 0.981 0.02 2 300 31 31 VAL HG2 H 0.908 0.02 2 301 31 31 VAL C C 177.61 0.3 1 302 31 31 VAL CA C 64.712 0.3 1 303 31 31 VAL CB C 30.886 0.3 1 304 31 31 VAL CG1 C 20.099 0.3 2 305 31 31 VAL N N 113.993 0.3 1 306 32 32 LYS H H 7.122 0.02 1 307 32 32 LYS HA H 4.191 0.02 1 308 32 32 LYS HB2 H 1.847 0.02 2 309 32 32 LYS HB3 H 1.96 0.02 2 310 32 32 LYS HD2 H 1.65 0.02 2 311 32 32 LYS HD3 H 1.729 0.02 2 312 32 32 LYS HE2 H 3.21 0.02 2 313 32 32 LYS HE3 H 3.21 0.02 2 314 32 32 LYS HG2 H 1.389 0.02 2 315 32 32 LYS HG3 H 1.389 0.02 2 316 32 32 LYS C C 177.4 0.3 1 317 32 32 LYS CA C 57.239 0.3 1 318 32 32 LYS CB C 32.495 0.3 1 319 32 32 LYS CD C 26.741 0.3 1 320 32 32 LYS CE C 43.116 0.3 1 321 32 32 LYS CG C 24.306 0.3 1 322 32 32 LYS N N 117.375 0.3 1 323 33 33 GLU H H 8.024 0.02 1 324 33 33 GLU HA H 4.031 0.02 1 325 33 33 GLU HB2 H 2.105 0.02 2 326 33 33 GLU HB3 H 1.93 0.02 2 327 33 33 GLU HG2 H 2.427 0.02 2 328 33 33 GLU HG3 H 2.33 0.02 2 329 33 33 GLU C C 176.94 0.3 1 330 33 33 GLU CA C 58.682 0.3 1 331 33 33 GLU CB C 30.375 0.3 1 332 33 33 GLU CG C 35.908 0.3 1 333 33 33 GLU N N 122.251 0.3 1 334 34 34 SER H H 7.486 0.02 1 335 34 34 SER HA H 4.423 0.02 1 336 34 34 SER HB2 H 3.763 0.02 2 337 34 34 SER HB3 H 3.975 0.02 2 338 34 34 SER C C 171.86 0.3 1 339 34 34 SER CA C 57.018 0.3 1 340 34 34 SER CB C 63.237 0.3 1 341 34 34 SER N N 109.114 0.3 1 342 35 35 GLU H H 8.803 0.02 1 343 35 35 GLU HA H 4.483 0.02 1 344 35 35 GLU HB2 H 2.16 0.02 2 345 35 35 GLU HB3 H 2.001 0.02 2 346 35 35 GLU HG2 H 2.467 0.02 2 347 35 35 GLU HG3 H 2.467 0.02 2 348 35 35 GLU C C 176.2 0.3 1 349 35 35 GLU CA C 57.216 0.3 1 350 35 35 GLU CB C 27.86 0.3 1 351 35 35 GLU CG C 33.989 0.3 1 352 35 35 GLU N N 126.255 0.3 1 353 36 36 SER H H 8.079 0.02 1 354 36 36 SER HA H 4.27 0.02 1 355 36 36 SER HB2 H 3.768 0.02 2 356 36 36 SER HB3 H 3.624 0.02 2 357 36 36 SER C C 174.78 0.3 1 358 36 36 SER CA C 58.956 0.3 1 359 36 36 SER CB C 63.253 0.3 1 360 36 36 SER N N 112.298 0.3 1 361 37 37 TYR H H 7.486 0.02 1 362 37 37 TYR HA H 5.325 0.02 1 363 37 37 TYR HB2 H 3.167 0.02 2 364 37 37 TYR HB3 H 3.298 0.02 2 365 37 37 TYR HD1 H 7.318 0.02 3 366 37 37 TYR HD2 H 7.318 0.02 3 367 37 37 TYR HE1 H 6.658 0.02 3 368 37 37 TYR HE2 H 6.658 0.02 3 369 37 37 TYR C C 176.45 0.3 1 370 37 37 TYR CA C 55.032 0.3 1 371 37 37 TYR CB C 36.395 0.3 1 372 37 37 TYR CD2 C 132.476 0.3 3 373 37 37 TYR CE2 C 117.891 0.3 3 374 37 37 TYR N N 118.927 0.3 1 375 38 38 THR H H 8.978 0.02 1 376 38 38 THR HA H 4.52 0.02 1 377 38 38 THR HB H 4.118 0.02 1 378 38 38 THR HG2 H 1.254 0.02 1 379 38 38 THR C C 174.79 0.3 1 380 38 38 THR CA C 60.293 0.3 1 381 38 38 THR CB C 69.45 0.3 1 382 38 38 THR CG2 C 21.267 0.3 1 383 38 38 THR N N 109.308 0.3 1 384 39 39 GLY H H 7.569 0.02 1 385 39 39 GLY HA2 H 4.182 0.02 2 386 39 39 GLY HA3 H 3.896 0.02 2 387 39 39 GLY C C 171.51 0.3 1 388 39 39 GLY CA C 44.854 0.3 1 389 39 39 GLY N N 109.173 0.3 1 390 40 40 GLY H H 8.214 0.02 1 391 40 40 GLY HA2 H 4.896 0.02 2 392 40 40 GLY HA3 H 4.229 0.02 2 393 40 40 GLY C C 170.22 0.3 1 394 40 40 GLY CA C 46.719 0.3 1 395 40 40 GLY N N 107.805 0.3 1 396 41 41 PHE H H 9.116 0.02 1 397 41 41 PHE HA H 4.63 0.02 1 398 41 41 PHE HB2 H 3.112 0.02 2 399 41 41 PHE HB3 H 3.134 0.02 2 400 41 41 PHE HD1 H 7.052 0.02 3 401 41 41 PHE HD2 H 7.052 0.02 3 402 41 41 PHE C C 172.01 0.3 1 403 41 41 PHE CA C 55.583 0.3 1 404 41 41 PHE CB C 40.748 0.3 1 405 41 41 PHE CD2 C 132.458 0.3 3 406 41 41 PHE N N 116.362 0.3 1 407 42 42 CYS H H 8.882 0.02 1 408 42 42 CYS HA H 5.168 0.02 1 409 42 42 CYS HB2 H 2.977 0.02 2 410 42 42 CYS HB3 H 2.62 0.02 2 411 42 42 CYS CA C 52.688 0.3 1 412 42 42 CYS CB C 38.758 0.3 1 413 42 42 CYS N N 118.9 0.3 1 414 43 43 ASN H H 9.577 0.02 1 415 43 43 ASN HA H 5.052 0.02 1 416 43 43 ASN HB2 H 2.55 0.02 2 417 43 43 ASN HB3 H 2.235 0.02 2 418 43 43 ASN HD21 H 6.808 0.02 2 419 43 43 ASN HD22 H 6.417 0.02 2 420 43 43 ASN C C 173.84 0.3 1 421 43 43 ASN CA C 52.203 0.3 1 422 43 43 ASN CB C 43.097 0.3 1 423 43 43 ASN N N 124.567 0.3 1 424 43 43 ASN ND2 N 111.629 0.3 1 425 44 44 GLY H H 8.455 0.02 1 426 44 44 GLY HA2 H 3.761 0.02 2 427 44 44 GLY HA3 H 4.658 0.02 2 428 44 44 GLY C C 172.46 0.3 1 429 44 44 GLY CA C 43.629 0.3 1 430 44 44 GLY N N 111.814 0.3 1 431 45 45 ARG H H 8.489 0.02 1 432 45 45 ARG HA H 4.812 0.02 1 433 45 45 ARG HB2 H 1.873 0.02 2 434 45 45 ARG HB3 H 1.873 0.02 2 435 45 45 ARG HD2 H 3.25 0.02 2 436 45 45 ARG HD3 H 3.25 0.02 2 437 45 45 ARG HG2 H 1.728 0.02 2 438 45 45 ARG HG3 H 1.728 0.02 2 439 45 45 ARG CA C 52.567 0.3 1 440 45 45 ARG CB C 30.46 0.3 1 441 45 45 ARG CD C 44.043 0.3 1 442 45 45 ARG CG C 26.436 0.3 1 443 45 45 ARG N N 120.702 0.3 1 444 46 46 PRO HA H 4.37 0.02 1 445 46 46 PRO HB2 H 2.318 0.02 2 446 46 46 PRO HB3 H 1.88 0.02 2 447 46 46 PRO HD2 H 3.87 0.02 2 448 46 46 PRO HD3 H 3.73 0.02 2 449 46 46 PRO HG2 H 2.16 0.02 2 450 46 46 PRO HG3 H 1.998 0.02 2 451 46 46 PRO CA C 61.6 0.3 1 452 46 46 PRO CB C 30.569 0.3 1 453 46 46 PRO CD C 50.657 0.3 1 454 46 46 PRO CG C 27.279 0.3 1 455 47 47 PRO HA H 4.602 0.02 1 456 47 47 PRO HB2 H 1.958 0.02 2 457 47 47 PRO HB3 H 1.958 0.02 2 458 47 47 PRO HD2 H 3.353 0.02 2 459 47 47 PRO HD3 H 3.2 0.02 2 460 47 47 PRO HG2 H 1.64 0.02 2 461 47 47 PRO HG3 H 0.669 0.02 2 462 47 47 PRO C C 175.05 0.3 1 463 47 47 PRO CA C 63.632 0.3 1 464 47 47 PRO CB C 32.465 0.3 1 465 47 47 PRO CD C 49.416 0.3 1 466 47 47 PRO CG C 23.3 0.3 1 467 48 48 PHE H H 8.607 0.02 1 468 48 48 PHE HA H 5.023 0.02 1 469 48 48 PHE HB2 H 3.444 0.02 2 470 48 48 PHE HB3 H 2.936 0.02 2 471 48 48 PHE HD1 H 7.242 0.02 3 472 48 48 PHE HD2 H 7.242 0.02 3 473 48 48 PHE C C 175.28 0.3 1 474 48 48 PHE CA C 56.139 0.3 1 475 48 48 PHE CB C 38.544 0.3 1 476 48 48 PHE CD2 C 131.346 0.3 3 477 48 48 PHE N N 125.157 0.3 1 478 49 49 LYS H H 7.982 0.02 1 479 49 49 LYS HA H 4.419 0.02 1 480 49 49 LYS HB2 H 1.998 0.02 2 481 49 49 LYS HB3 H 1.998 0.02 2 482 49 49 LYS HD2 H 1.88 0.02 2 483 49 49 LYS HD3 H 1.88 0.02 2 484 49 49 LYS HE2 H 3.565 0.02 2 485 49 49 LYS HE3 H 3.565 0.02 2 486 49 49 LYS HG2 H 1.453 0.02 2 487 49 49 LYS HG3 H 1.453 0.02 2 488 49 49 LYS C C 176.44 0.3 1 489 49 49 LYS CA C 57.17 0.3 1 490 49 49 LYS CB C 33.325 0.3 1 491 49 49 LYS CD C 27.714 0.3 1 492 49 49 LYS N N 120.895 0.3 1 493 50 50 GLN H H 8.406 0.02 1 494 50 50 GLN HA H 4.801 0.02 1 495 50 50 GLN HB2 H 1.741 0.02 2 496 50 50 GLN HB3 H 1.741 0.02 2 497 50 50 GLN HE21 H 7.53 0.02 2 498 50 50 GLN HE22 H 6.84 0.02 2 499 50 50 GLN HG2 H 1.928 0.02 2 500 50 50 GLN HG3 H 1.928 0.02 2 501 50 50 GLN C C 174.56 0.3 1 502 50 50 GLN CA C 53.893 0.3 1 503 50 50 GLN CB C 33.119 0.3 1 504 50 50 GLN N N 119.063 0.3 1 505 50 50 GLN NE2 N 111.322 0.3 1 506 51 51 CYS H H 9.216 0.02 1 507 51 51 CYS HA H 4.712 0.02 1 508 51 51 CYS HB2 H 2.352 0.02 2 509 51 51 CYS HB3 H 2.305 0.02 2 510 51 51 CYS C C 172.71 0.3 1 511 51 51 CYS CA C 55.069 0.3 1 512 51 51 CYS CB C 35.636 0.3 1 513 51 51 CYS N N 121.534 0.3 1 514 52 52 PHE H H 8.96 0.02 1 515 52 52 PHE HA H 4.529 0.02 1 516 52 52 PHE HB2 H 2.196 0.02 2 517 52 52 PHE HB3 H 2.196 0.02 2 518 52 52 PHE HD1 H 6.826 0.02 3 519 52 52 PHE HD2 H 6.826 0.02 3 520 52 52 PHE HE1 H 7.355 0.02 3 521 52 52 PHE HE2 H 7.355 0.02 3 522 52 52 PHE HZ H 7.007 0.02 1 523 52 52 PHE C C 172.46 0.3 1 524 52 52 PHE CA C 56.4 0.3 1 525 52 52 PHE CB C 41.4 0.3 1 526 52 52 PHE CD2 C 130.496 0.3 3 527 52 52 PHE CE2 C 131.596 0.3 3 528 52 52 PHE CZ C 129.922 0.3 1 529 52 52 PHE N N 131.266 0.3 1 530 53 53 CYS H H 8.841 0.02 1 531 53 53 CYS HA H 5.401 0.02 1 532 53 53 CYS HB2 H 1.998 0.02 2 533 53 53 CYS HB3 H 1.334 0.02 2 534 53 53 CYS C C 175.28 0.3 1 535 53 53 CYS CA C 50.648 0.3 1 536 53 53 CYS CB C 34.836 0.3 1 537 53 53 CYS N N 118.529 0.3 1 538 54 54 THR H H 8.418 0.02 1 539 54 54 THR HA H 5.206 0.02 1 540 54 54 THR HG2 H 1.099 0.02 1 541 54 54 THR C C 173.64 0.3 1 542 54 54 THR CA C 59.32 0.3 1 543 54 54 THR CB C 70.874 0.3 1 544 54 54 THR CG2 C 21.862 0.3 1 545 54 54 THR N N 112.664 0.3 1 546 55 55 LYS H H 8.413 0.02 1 547 55 55 LYS HA H 5.17 0.02 1 548 55 55 LYS HB2 H 2.243 0.02 2 549 55 55 LYS HB3 H 1.998 0.02 2 550 55 55 LYS HD2 H 1.318 0.02 2 551 55 55 LYS HD3 H 1.318 0.02 2 552 55 55 LYS HE2 H 2.857 0.02 2 553 55 55 LYS HE3 H 2.857 0.02 2 554 55 55 LYS HG2 H 1.223 0.02 2 555 55 55 LYS HG3 H 1.223 0.02 2 556 55 55 LYS CA C 53.482 0.3 1 557 55 55 LYS CB C 33.595 0.3 1 558 55 55 LYS CD C 26.798 0.3 1 559 55 55 LYS CE C 41.861 0.3 1 560 55 55 LYS CG C 22.082 0.3 1 561 55 55 LYS N N 117.292 0.3 1 562 56 56 PRO HA H 4.7 0.02 1 563 56 56 PRO HB2 H 2.294 0.02 2 564 56 56 PRO HB3 H 1.889 0.02 2 565 56 56 PRO HD2 H 3.836 0.02 2 566 56 56 PRO HD3 H 3.718 0.02 2 567 56 56 PRO HG2 H 2.171 0.02 2 568 56 56 PRO HG3 H 2 0.02 2 569 56 56 PRO C C 177.4 0.3 1 570 56 56 PRO CA C 62.748 0.3 1 571 56 56 PRO CB C 31.885 0.3 1 572 56 56 PRO CD C 50.616 0.3 1 573 56 56 PRO CG C 27.7 0.3 1 574 57 57 CYS H H 8.762 0.02 1 575 57 57 CYS HA H 4.579 0.02 1 576 57 57 CYS HB2 H 3.209 0.02 2 577 57 57 CYS HB3 H 2.781 0.02 2 578 57 57 CYS C C 174.33 0.3 1 579 57 57 CYS CA C 54.973 0.3 1 580 57 57 CYS CB C 41.789 0.3 1 581 57 57 CYS N N 121.509 0.3 1 582 58 58 LYS H H 8.327 0.02 1 583 58 58 LYS HA H 4.387 0.02 1 584 58 58 LYS HB2 H 1.957 0.02 2 585 58 58 LYS HB3 H 1.705 0.02 2 586 58 58 LYS HD2 H 1.489 0.02 2 587 58 58 LYS HD3 H 1.489 0.02 2 588 58 58 LYS HE2 H 2.936 0.02 2 589 58 58 LYS HE3 H 2.936 0.02 2 590 58 58 LYS HG2 H 1.326 0.02 2 591 58 58 LYS HG3 H 1.251 0.02 2 592 58 58 LYS C C 175.74 0.3 1 593 58 58 LYS CA C 54.908 0.3 1 594 58 58 LYS CB C 33.303 0.3 1 595 58 58 LYS CD C 33.654 0.3 1 596 58 58 LYS CE C 41.851 0.3 1 597 58 58 LYS CG C 24.034 0.3 1 598 58 58 LYS N N 120.818 0.3 1 599 59 59 ARG H H 8.411 0.02 1 600 59 59 ARG HA H 4.306 0.02 1 601 59 59 ARG HB2 H 1.735 0.02 2 602 59 59 ARG HB3 H 1.836 0.02 2 603 59 59 ARG HD2 H 3.204 0.02 2 604 59 59 ARG HD3 H 3.204 0.02 2 605 59 59 ARG HG2 H 1.646 0.02 2 606 59 59 ARG HG3 H 1.646 0.02 2 607 59 59 ARG C C 175.86 0.3 1 608 59 59 ARG CA C 55.872 0.3 1 609 59 59 ARG CB C 30.521 0.3 1 610 59 59 ARG CD C 43 0.3 1 611 59 59 ARG CG C 29.575 0.3 1 612 59 59 ARG N N 123.344 0.3 1 613 60 60 GLU H H 8.542 0.02 1 614 60 60 GLU HA H 4.476 0.02 1 615 60 60 GLU HB2 H 1.962 0.02 2 616 60 60 GLU HB3 H 1.994 0.02 2 617 60 60 GLU HG2 H 2.487 0.02 2 618 60 60 GLU HG3 H 2.427 0.02 2 619 60 60 GLU C C 175.95 0.3 1 620 60 60 GLU CA C 55.595 0.3 1 621 60 60 GLU CB C 29.68 0.3 1 622 60 60 GLU CG C 34.026 0.3 1 623 60 60 GLU N N 123.1 0.3 1 624 61 61 ARG H H 8.42 0.02 1 625 61 61 ARG HA H 4.055 0.02 1 626 61 61 ARG HB2 H 1.919 0.02 2 627 61 61 ARG HB3 H 1.919 0.02 2 628 61 61 ARG HD2 H 3.156 0.02 2 629 61 61 ARG HD3 H 3.156 0.02 2 630 61 61 ARG HG2 H 1.612 0.02 2 631 61 61 ARG HG3 H 1.612 0.02 2 632 61 61 ARG C C 175.55 0.3 1 633 61 61 ARG CA C 56.102 0.3 1 634 61 61 ARG CB C 30.35 0.3 1 635 61 61 ARG CD C 39.014 0.3 1 636 61 61 ARG CG C 26.824 0.3 1 637 61 61 ARG N N 122.467 0.3 1 638 62 62 ALA H H 8.324 0.02 1 639 62 62 ALA HA H 4.15 0.02 1 640 62 62 ALA HB H 1.547 0.02 1 641 62 62 ALA C C 177.15 0.3 1 642 62 62 ALA CA C 51.522 0.3 1 643 62 62 ALA CB C 17.938 0.3 1 644 62 62 ALA N N 125.625 0.3 1 645 63 63 ALA H H 8.261 0.02 1 646 63 63 ALA HA H 4.277 0.02 1 647 63 63 ALA HB H 1.378 0.02 1 648 63 63 ALA C C 177.15 0.3 1 649 63 63 ALA CA C 52.105 0.3 1 650 63 63 ALA CB C 18.799 0.3 1 651 63 63 ALA N N 123.467 0.3 1 652 64 64 ALA H H 8.254 0.02 1 653 64 64 ALA HA H 4.331 0.02 1 654 64 64 ALA HB H 1.396 0.02 1 655 64 64 ALA C C 177.61 0.3 1 656 64 64 ALA CA C 52.299 0.3 1 657 64 64 ALA CB C 18.849 0.3 1 658 64 64 ALA N N 122.914 0.3 1 659 65 65 THR H H 7.985 0.02 1 660 65 65 THR HA H 4.487 0.02 1 661 65 65 THR HB H 3.835 0.02 1 662 65 65 THR HG2 H 1.249 0.02 1 663 65 65 THR C C 173.39 0.3 1 664 65 65 THR CA C 61.577 0.3 1 665 65 65 THR CB C 69.353 0.3 1 666 65 65 THR CG2 C 22.271 0.3 1 667 65 65 THR N N 112.938 0.3 1 668 66 66 LEU H H 8.148 0.02 1 669 66 66 LEU HA H 4.244 0.02 1 670 66 66 LEU HB2 H 1.718 0.02 2 671 66 66 LEU HB3 H 1.542 0.02 2 672 66 66 LEU HD1 H 0.891 0.02 2 673 66 66 LEU HD2 H 0.825 0.02 2 674 66 66 LEU HG H 1.428 0.02 1 675 66 66 LEU C C 176.45 0.3 1 676 66 66 LEU CA C 54.981 0.3 1 677 66 66 LEU CB C 42.064 0.3 1 678 66 66 LEU CD1 C 24.84 0.3 2 679 66 66 LEU CD2 C 23.224 0.3 2 680 66 66 LEU N N 124.75 0.3 1 681 67 67 ARG H H 8.203 0.02 1 682 67 67 ARG HA H 4.4 0.02 1 683 67 67 ARG HB2 H 1.824 0.02 2 684 67 67 ARG HB3 H 1.718 0.02 2 685 67 67 ARG HD2 H 3.209 0.02 2 686 67 67 ARG HD3 H 3.209 0.02 2 687 67 67 ARG HG2 H 1.598 0.02 2 688 67 67 ARG HG3 H 1.598 0.02 2 689 67 67 ARG C C 174.58 0.3 1 690 67 67 ARG CA C 55.856 0.3 1 691 67 67 ARG CB C 30.776 0.3 1 692 67 67 ARG CD C 42.951 0.3 1 693 67 67 ARG CG C 26.798 0.3 1 694 67 67 ARG N N 121.84 0.3 1 695 68 68 TRP H H 8.202 0.02 1 696 68 68 TRP HA H 4.64 0.02 1 697 68 68 TRP HB2 H 3.082 0.02 2 698 68 68 TRP HB3 H 2.954 0.02 2 699 68 68 TRP HD1 H 7.318 0.02 1 700 68 68 TRP HE1 H 10.14 0.02 1 701 68 68 TRP HE3 H 7.738 0.02 1 702 68 68 TRP HH2 H 7.27 0.02 1 703 68 68 TRP HZ2 H 7.53 0.02 1 704 68 68 TRP HZ3 H 7.197 0.02 1 705 68 68 TRP CA C 55.5 0.3 1 706 68 68 TRP CB C 30.14 0.3 1 707 68 68 TRP CD1 C 127.295 0.3 1 708 68 68 TRP CE3 C 120.404 0.3 1 709 68 68 TRP CH2 C 124.54 0.3 1 710 68 68 TRP CZ2 C 114.493 0.3 1 711 68 68 TRP CZ3 C 122.043 0.3 1 712 68 68 TRP N N 124.144 0.3 1 713 69 69 PRO HA H 5.1 0.02 1 714 69 69 PRO HB2 H 2.296 0.02 2 715 69 69 PRO HB3 H 2.296 0.02 2 716 69 69 PRO HD2 H 3.852 0.02 2 717 69 69 PRO HD3 H 3.716 0.02 2 718 69 69 PRO HG2 H 1.883 0.02 2 719 69 69 PRO HG3 H 1.883 0.02 2 720 69 69 PRO C C 176.94 0.3 1 721 69 69 PRO CA C 62.753 0.3 1 722 69 69 PRO CB C 31.371 0.3 1 723 70 70 GLY H H 7.764 0.02 1 724 70 70 GLY HA2 H 3.84 0.02 2 725 70 70 GLY HA3 H 3.84 0.02 2 726 70 70 GLY C C 172.92 0.3 1 727 70 70 GLY CA C 45.082 0.3 1 728 70 70 GLY N N 108.495 0.3 1 729 71 71 LEU H H 7.726 0.02 1 730 71 71 LEU HA H 4.372 0.02 1 731 71 71 LEU HB2 H 1.614 0.02 2 732 71 71 LEU HB3 H 1.614 0.02 2 733 71 71 LEU HD1 H 0.921 0.02 2 734 71 71 LEU HD2 H 0.896 0.02 2 735 71 71 LEU HG H 1.527 0.02 1 736 71 71 LEU CA C 55.841 0.3 1 737 71 71 LEU CB C 42.828 0.3 1 738 71 71 LEU CD1 C 24.714 0.3 2 739 71 71 LEU CG C 26.841 0.3 1 740 71 71 LEU N N 125.226 0.3 1 stop_ save_