data_18657 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H,13C,15N assignments for an isoform of the type III antifreeze protein from notched-fin eelpout ; _BMRB_accession_number 18657 _BMRB_flat_file_name bmr18657.str _Entry_type original _Submission_date 2012-08-12 _Accession_date 2012-08-12 _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 Kumeta Hiroyuki . . 2 Ogura Kenji . . 3 Nishimiya Yoshiyuki . . 4 Miura Ai . . 5 Inagaki Fuyuhiko . . 6 Tsuda Sakae . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 395 "13C chemical shifts" 292 "15N chemical shifts" 67 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-18 update BMRB 'update entry citation' 2013-02-13 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure note: a defective isoform and its activity-improved variant of a type III antifreeze protein from Zoarces elongates Kner.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23288342 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kumeta Hiroyuki . . 2 Ogura Kenji . . 3 Nishimiya Yoshiyuki . . 4 Miura Ai . . 5 Inagaki Fuyuhiko . . 6 Tsuda Sakae . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of biomolecular NMR' _Journal_volume 55 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 225 _Page_last 230 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name nfeAFP11 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label nfeAFP11 $nfeAFP11 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_nfeAFP11 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common nfeAFP11 _Molecular_mass 7071.434 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 67 _Mol_residue_sequence ; MNQESVVAAQLIPINTALTL VMMTTRVVSPTGIPAEDIPR LISMQVNQVVPMGTTLMPDM VKGYAPA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 MET 2 1 ASN 3 2 GLN 4 3 GLU 5 4 SER 6 5 VAL 7 6 VAL 8 7 ALA 9 8 ALA 10 9 GLN 11 10 LEU 12 11 ILE 13 12 PRO 14 13 ILE 15 14 ASN 16 15 THR 17 16 ALA 18 17 LEU 19 18 THR 20 19 LEU 21 20 VAL 22 21 MET 23 22 MET 24 23 THR 25 24 THR 26 25 ARG 27 26 VAL 28 27 VAL 29 28 SER 30 29 PRO 31 30 THR 32 31 GLY 33 32 ILE 34 33 PRO 35 34 ALA 36 35 GLU 37 36 ASP 38 37 ILE 39 38 PRO 40 39 ARG 41 40 LEU 42 41 ILE 43 42 SER 44 43 MET 45 44 GLN 46 45 VAL 47 46 ASN 48 47 GLN 49 48 VAL 50 49 VAL 51 50 PRO 52 51 MET 53 52 GLY 54 53 THR 55 54 THR 56 55 LEU 57 56 MET 58 57 PRO 59 58 ASP 60 59 MET 61 60 VAL 62 61 LYS 63 62 GLY 64 63 TYR 65 64 ALA 66 65 PRO 67 66 ALA 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 2LX3 "1h,13c,15n Assignments For An Isoform Of The Type Iii Antifreeze Protein From Notched-fin Eelpout" 100.00 67 100.00 100.00 8.98e-38 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $nfeAFP11 . 291231 Eukaryota Metazoa Zoarces elongatus 'A fish living off the northern east coast of Japan.' 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 $nfeAFP11 'recombinant technology' . Escherichia coli . pKK223-3UC 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 $nfeAFP11 2 mM '[U-100% 13C; U-100% 15N]' 'potassium chloride' 20 mM 'natural abundance' DSS 0.1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_12 _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 'ionic strength' 20 . mM pH 6.8 . pH pressure 1 . atm temperature 273 . 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 HNCO' '3D HN(CO)CA' '3D HNCA' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' '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 nfeAFP11 _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 0 1 MET HA H 4.042 . 1 2 0 1 MET HB2 H 2.115 . 2 3 0 1 MET HB3 H 2.115 . 2 4 0 1 MET HG2 H 2.574 . 2 5 0 1 MET HG3 H 2.574 . 2 6 0 1 MET HE H 2.076 . 1 7 0 1 MET CA C 55.069 . 1 8 0 1 MET CB C 32.983 . 1 9 0 1 MET CG C 30.894 . 1 10 0 1 MET CE C 16.777 . 1 11 1 2 ASN HA H 4.703 . 1 12 1 2 ASN HB2 H 2.728 . 2 13 1 2 ASN HB3 H 2.763 . 2 14 1 2 ASN HD21 H 7.717 . 2 15 1 2 ASN HD22 H 7.069 . 2 16 1 2 ASN C C 174.258 . 1 17 1 2 ASN CA C 53.192 . 1 18 1 2 ASN CB C 38.954 . 1 19 1 2 ASN CG C 176.744 . 1 20 1 2 ASN ND2 N 113.477 . 1 21 2 3 GLN H H 8.597 . 1 22 2 3 GLN HA H 4.323 . 1 23 2 3 GLN HB2 H 2.100 . 2 24 2 3 GLN HB3 H 2.154 . 2 25 2 3 GLN HG2 H 2.236 . 2 26 2 3 GLN HG3 H 2.384 . 2 27 2 3 GLN HE21 H 7.937 . 2 28 2 3 GLN HE22 H 7.502 . 2 29 2 3 GLN C C 176.004 . 1 30 2 3 GLN CA C 55.835 . 1 31 2 3 GLN CB C 29.640 . 1 32 2 3 GLN CG C 34.023 . 1 33 2 3 GLN CD C 180.287 . 1 34 2 3 GLN N N 120.041 . 1 35 2 3 GLN NE2 N 115.472 . 1 36 3 4 GLU H H 9.025 . 1 37 3 4 GLU HA H 4.294 . 1 38 3 4 GLU HB2 H 1.798 . 2 39 3 4 GLU HB3 H 2.009 . 2 40 3 4 GLU HG2 H 2.007 . 2 41 3 4 GLU HG3 H 2.321 . 2 42 3 4 GLU C C 177.305 . 1 43 3 4 GLU CA C 56.597 . 1 44 3 4 GLU CB C 32.196 . 1 45 3 4 GLU CG C 37.559 . 1 46 3 4 GLU N N 124.166 . 1 47 4 5 SER H H 8.925 . 1 48 4 5 SER HA H 5.412 . 1 49 4 5 SER HB2 H 3.594 . 2 50 4 5 SER HB3 H 3.594 . 2 51 4 5 SER HG H 6.985 . 1 52 4 5 SER C C 171.713 . 1 53 4 5 SER CA C 57.271 . 1 54 4 5 SER CB C 66.319 . 1 55 4 5 SER N N 118.222 . 1 56 5 6 VAL H H 8.506 . 1 57 5 6 VAL HA H 4.156 . 1 58 5 6 VAL HB H 1.719 . 1 59 5 6 VAL HG1 H 0.842 . 1 60 5 6 VAL HG2 H 0.746 . 1 61 5 6 VAL C C 174.325 . 1 62 5 6 VAL CA C 63.408 . 1 63 5 6 VAL CB C 31.916 . 1 64 5 6 VAL CG1 C 23.010 . 2 65 5 6 VAL CG2 C 23.444 . 2 66 5 6 VAL N N 122.304 . 1 67 6 7 VAL H H 8.637 . 1 68 6 7 VAL HA H 4.512 . 1 69 6 7 VAL HB H 1.332 . 1 70 6 7 VAL HG1 H 0.559 . 1 71 6 7 VAL HG2 H 0.659 . 1 72 6 7 VAL C C 174.958 . 1 73 6 7 VAL CA C 59.365 . 1 74 6 7 VAL CB C 36.189 . 1 75 6 7 VAL CG1 C 20.870 . 2 76 6 7 VAL CG2 C 21.914 . 2 77 6 7 VAL N N 126.068 . 1 78 7 8 ALA H H 8.318 . 1 79 7 8 ALA HA H 4.441 . 1 80 7 8 ALA HB H 1.634 . 1 81 7 8 ALA C C 178.642 . 1 82 7 8 ALA CA C 53.079 . 1 83 7 8 ALA CB C 19.055 . 1 84 7 8 ALA N N 126.887 . 1 85 8 9 ALA H H 9.248 . 1 86 8 9 ALA HA H 4.162 . 1 87 8 9 ALA HB H 1.216 . 1 88 8 9 ALA C C 174.975 . 1 89 8 9 ALA CA C 52.229 . 1 90 8 9 ALA CB C 19.350 . 1 91 8 9 ALA N N 129.962 . 1 92 9 10 GLN H H 7.709 . 1 93 9 10 GLN HA H 4.510 . 1 94 9 10 GLN HB2 H 1.871 . 2 95 9 10 GLN HB3 H 2.256 . 2 96 9 10 GLN HG2 H 1.953 . 2 97 9 10 GLN HG3 H 2.029 . 2 98 9 10 GLN HE21 H 7.505 . 2 99 9 10 GLN HE22 H 6.925 . 2 100 9 10 GLN C C 172.373 . 1 101 9 10 GLN CA C 52.613 . 1 102 9 10 GLN CB C 32.673 . 1 103 9 10 GLN CG C 32.708 . 1 104 9 10 GLN N N 111.285 . 1 105 9 10 GLN NE2 N 111.143 . 1 106 10 11 LEU H H 8.501 . 1 107 10 11 LEU HA H 4.541 . 1 108 10 11 LEU HB2 H 1.615 . 2 109 10 11 LEU HB3 H 1.679 . 2 110 10 11 LEU HG H 1.239 . 1 111 10 11 LEU HD1 H 0.792 . 1 112 10 11 LEU HD2 H 0.764 . 1 113 10 11 LEU C C 177.120 . 1 114 10 11 LEU CA C 56.329 . 1 115 10 11 LEU CB C 41.176 . 1 116 10 11 LEU CG C 27.819 . 1 117 10 11 LEU CD1 C 24.701 . 2 118 10 11 LEU CD2 C 25.183 . 2 119 10 11 LEU N N 120.553 . 1 120 11 12 ILE H H 9.329 . 1 121 11 12 ILE HA H 4.604 . 1 122 11 12 ILE HB H 2.000 . 1 123 11 12 ILE HG12 H 0.838 . 2 124 11 12 ILE HG13 H 2.213 . 2 125 11 12 ILE HG2 H 1.049 . 1 126 11 12 ILE HD1 H 0.864 . 1 127 11 12 ILE CA C 59.247 . 1 128 11 12 ILE CB C 39.630 . 1 129 11 12 ILE CG1 C 26.504 . 1 130 11 12 ILE CG2 C 19.068 . 1 131 11 12 ILE CD1 C 13.514 . 1 132 11 12 ILE N N 132.775 . 1 133 12 13 PRO HA H 4.392 . 1 134 12 13 PRO HB2 H 2.364 . 2 135 12 13 PRO HB3 H 1.614 . 2 136 12 13 PRO HG2 H 1.737 . 2 137 12 13 PRO HG3 H 1.989 . 2 138 12 13 PRO HD2 H 3.631 . 2 139 12 13 PRO HD3 H 4.035 . 2 140 12 13 PRO C C 176.644 . 1 141 12 13 PRO CA C 61.904 . 1 142 12 13 PRO CB C 32.576 . 1 143 12 13 PRO CG C 27.369 . 1 144 12 13 PRO CD C 51.402 . 1 145 13 14 ILE H H 7.938 . 1 146 13 14 ILE HA H 3.380 . 1 147 13 14 ILE HB H 1.562 . 1 148 13 14 ILE HG12 H 0.913 . 2 149 13 14 ILE HG13 H 1.090 . 2 150 13 14 ILE HG2 H 0.814 . 1 151 13 14 ILE HD1 H 0.903 . 1 152 13 14 ILE C C 173.621 . 1 153 13 14 ILE CA C 63.705 . 1 154 13 14 ILE CB C 38.836 . 1 155 13 14 ILE CG1 C 29.352 . 1 156 13 14 ILE CG2 C 15.041 . 1 157 13 14 ILE CD1 C 14.771 . 1 158 13 14 ILE N N 121.774 . 1 159 14 15 ASN H H 7.240 . 1 160 14 15 ASN HA H 4.565 . 1 161 14 15 ASN HB2 H 2.961 . 2 162 14 15 ASN HB3 H 3.059 . 2 163 14 15 ASN HD21 H 7.838 . 2 164 14 15 ASN HD22 H 7.103 . 2 165 14 15 ASN C C 173.943 . 1 166 14 15 ASN CA C 55.344 . 1 167 14 15 ASN CB C 37.014 . 1 168 14 15 ASN CG C 177.911 . 1 169 14 15 ASN N N 117.013 . 1 170 14 15 ASN ND2 N 115.762 . 1 171 15 16 THR H H 7.313 . 1 172 15 16 THR HA H 3.966 . 1 173 15 16 THR HB H 3.882 . 1 174 15 16 THR HG1 H 5.507 . 1 175 15 16 THR HG2 H 1.164 . 1 176 15 16 THR C C 172.956 . 1 177 15 16 THR CA C 64.332 . 1 178 15 16 THR CB C 69.532 . 1 179 15 16 THR CG2 C 22.144 . 1 180 15 16 THR N N 116.580 . 1 181 16 17 ALA H H 8.545 . 1 182 16 17 ALA HA H 4.246 . 1 183 16 17 ALA HB H 1.221 . 1 184 16 17 ALA C C 176.643 . 1 185 16 17 ALA CA C 50.750 . 1 186 16 17 ALA CB C 18.653 . 1 187 16 17 ALA N N 128.035 . 1 188 17 18 LEU H H 9.114 . 1 189 17 18 LEU HA H 4.505 . 1 190 17 18 LEU HB2 H 0.963 . 2 191 17 18 LEU HB3 H 2.246 . 2 192 17 18 LEU HG H 1.920 . 1 193 17 18 LEU HD1 H 0.804 . 1 194 17 18 LEU HD2 H 0.893 . 1 195 17 18 LEU C C 178.848 . 1 196 17 18 LEU CA C 56.127 . 1 197 17 18 LEU CB C 42.573 . 1 198 17 18 LEU CG C 27.709 . 1 199 17 18 LEU CD1 C 25.845 . 2 200 17 18 LEU CD2 C 24.790 . 2 201 17 18 LEU N N 125.094 . 1 202 18 19 THR H H 7.980 . 1 203 18 19 THR HA H 4.623 . 1 204 18 19 THR HB H 4.483 . 1 205 18 19 THR HG1 H 5.080 . 1 206 18 19 THR HG2 H 1.219 . 1 207 18 19 THR C C 175.028 . 1 208 18 19 THR CA C 58.935 . 1 209 18 19 THR CB C 71.185 . 1 210 18 19 THR CG2 C 21.651 . 1 211 18 19 THR N N 113.568 . 1 212 19 20 LEU H H 8.882 . 1 213 19 20 LEU HA H 3.817 . 1 214 19 20 LEU HB2 H 1.587 . 2 215 19 20 LEU HB3 H 1.677 . 2 216 19 20 LEU HG H 1.595 . 1 217 19 20 LEU HD1 H 0.859 . 1 218 19 20 LEU HD2 H 0.906 . 1 219 19 20 LEU C C 179.309 . 1 220 19 20 LEU CA C 58.710 . 1 221 19 20 LEU CB C 42.213 . 1 222 19 20 LEU CG C 26.727 . 1 223 19 20 LEU CD1 C 24.778 . 2 224 19 20 LEU CD2 C 24.277 . 2 225 19 20 LEU N N 121.118 . 1 226 20 21 VAL H H 7.528 . 1 227 20 21 VAL HA H 4.021 . 1 228 20 21 VAL HB H 2.160 . 1 229 20 21 VAL HG1 H 0.941 . 1 230 20 21 VAL HG2 H 0.926 . 1 231 20 21 VAL C C 176.778 . 1 232 20 21 VAL CA C 63.377 . 1 233 20 21 VAL CB C 31.558 . 1 234 20 21 VAL CG1 C 20.549 . 2 235 20 21 VAL CG2 C 20.467 . 2 236 20 21 VAL N N 110.454 . 1 237 21 22 MET H H 7.518 . 1 238 21 22 MET HA H 3.940 . 1 239 21 22 MET HB2 H 2.120 . 2 240 21 22 MET HB3 H 2.172 . 2 241 21 22 MET HG2 H 2.460 . 2 242 21 22 MET HG3 H 2.778 . 2 243 21 22 MET HE H 2.182 . 1 244 21 22 MET C C 175.514 . 1 245 21 22 MET CA C 57.965 . 1 246 21 22 MET CB C 32.889 . 1 247 21 22 MET CG C 33.297 . 1 248 21 22 MET CE C 18.521 . 1 249 21 22 MET N N 116.848 . 1 250 22 23 MET H H 7.709 . 1 251 22 23 MET HA H 4.893 . 1 252 22 23 MET HB2 H 1.754 . 2 253 22 23 MET HB3 H 2.082 . 2 254 22 23 MET HG2 H 1.947 . 2 255 22 23 MET HG3 H 2.309 . 2 256 22 23 MET HE H 1.803 . 1 257 22 23 MET C C 173.981 . 1 258 22 23 MET CA C 55.373 . 1 259 22 23 MET CB C 37.383 . 1 260 22 23 MET CG C 31.675 . 1 261 22 23 MET CE C 17.394 . 1 262 22 23 MET N N 116.986 . 1 263 23 24 THR H H 9.041 . 1 264 23 24 THR HA H 4.788 . 1 265 23 24 THR HB H 4.072 . 1 266 23 24 THR HG2 H 0.904 . 1 267 23 24 THR C C 172.307 . 1 268 23 24 THR CA C 58.678 . 1 269 23 24 THR CB C 69.836 . 1 270 23 24 THR CG2 C 18.049 . 1 271 23 24 THR N N 118.163 . 1 272 24 25 THR H H 8.139 . 1 273 24 25 THR HA H 5.691 . 1 274 24 25 THR HB H 3.972 . 1 275 24 25 THR HG2 H 0.999 . 1 276 24 25 THR C C 174.035 . 1 277 24 25 THR CA C 58.843 . 1 278 24 25 THR CB C 71.456 . 1 279 24 25 THR CG2 C 22.851 . 1 280 24 25 THR N N 111.374 . 1 281 25 26 ARG H H 8.626 . 1 282 25 26 ARG HA H 4.575 . 1 283 25 26 ARG HB2 H 1.615 . 2 284 25 26 ARG HB3 H 1.690 . 2 285 25 26 ARG HG2 H 1.518 . 2 286 25 26 ARG HG3 H 1.518 . 2 287 25 26 ARG HD2 H 3.038 . 2 288 25 26 ARG HD3 H 3.218 . 2 289 25 26 ARG HE H 7.239 . 1 290 25 26 ARG HH11 H 6.912 . 2 291 25 26 ARG HH12 H 6.492 . 1 292 25 26 ARG HH22 H 6.912 . 2 293 25 26 ARG C C 174.979 . 1 294 25 26 ARG CA C 55.085 . 1 295 25 26 ARG CB C 35.806 . 1 296 25 26 ARG CG C 27.334 . 1 297 25 26 ARG CD C 43.346 . 1 298 25 26 ARG N N 119.402 . 1 299 25 26 ARG NE N 84.249 . 1 300 26 27 VAL H H 9.050 . 1 301 26 27 VAL HA H 4.132 . 1 302 26 27 VAL HB H 2.035 . 1 303 26 27 VAL HG1 H 0.812 . 1 304 26 27 VAL HG2 H 0.896 . 1 305 26 27 VAL C C 174.893 . 1 306 26 27 VAL CA C 64.085 . 1 307 26 27 VAL CB C 30.450 . 1 308 26 27 VAL CG1 C 21.211 . 2 309 26 27 VAL CG2 C 22.070 . 2 310 26 27 VAL N N 124.668 . 1 311 27 28 VAL H H 8.266 . 1 312 27 28 VAL HA H 4.649 . 1 313 27 28 VAL HB H 1.962 . 1 314 27 28 VAL HG1 H 0.706 . 1 315 27 28 VAL HG2 H 0.833 . 1 316 27 28 VAL C C 174.747 . 1 317 27 28 VAL CA C 59.232 . 1 318 27 28 VAL CB C 36.205 . 1 319 27 28 VAL CG1 C 21.961 . 2 320 27 28 VAL CG2 C 18.472 . 2 321 27 28 VAL N N 123.136 . 1 322 28 29 SER H H 8.302 . 1 323 28 29 SER HA H 4.535 . 1 324 28 29 SER HB2 H 3.561 . 2 325 28 29 SER HB3 H 3.642 . 2 326 28 29 SER CA C 54.880 . 1 327 28 29 SER CB C 64.922 . 1 328 28 29 SER N N 116.564 . 1 329 29 30 PRO HA H 4.774 . 1 330 29 30 PRO HB2 H 2.452 . 2 331 29 30 PRO HB3 H 2.074 . 2 332 29 30 PRO HG2 H 1.765 . 2 333 29 30 PRO HG3 H 1.926 . 2 334 29 30 PRO HD2 H 3.487 . 2 335 29 30 PRO HD3 H 3.587 . 2 336 29 30 PRO C C 176.324 . 1 337 29 30 PRO CA C 62.543 . 1 338 29 30 PRO CB C 34.561 . 1 339 29 30 PRO CG C 25.294 . 1 340 29 30 PRO CD C 50.338 . 1 341 30 31 THR H H 8.492 . 1 342 30 31 THR HA H 3.830 . 1 343 30 31 THR HB H 4.251 . 1 344 30 31 THR HG2 H 1.354 . 1 345 30 31 THR C C 174.556 . 1 346 30 31 THR CA C 62.846 . 1 347 30 31 THR CB C 69.384 . 1 348 30 31 THR CG2 C 22.152 . 1 349 30 31 THR N N 113.418 . 1 350 31 32 GLY H H 8.054 . 1 351 31 32 GLY HA2 H 5.002 . 2 352 31 32 GLY HA3 H 3.469 . 1 353 31 32 GLY C C 174.722 . 1 354 31 32 GLY CA C 44.844 . 1 355 31 32 GLY N N 109.224 . 1 356 32 33 ILE H H 8.820 . 1 357 32 33 ILE HA H 3.959 . 1 358 32 33 ILE HB H 1.262 . 1 359 32 33 ILE HG12 H 0.329 . 2 360 32 33 ILE HG13 H 1.199 . 2 361 32 33 ILE HG2 H 0.993 . 1 362 32 33 ILE HD1 H -0.008 . 1 363 32 33 ILE CA C 61.251 . 1 364 32 33 ILE CB C 39.665 . 1 365 32 33 ILE CG1 C 28.851 . 1 366 32 33 ILE CG2 C 16.035 . 1 367 32 33 ILE CD1 C 13.539 . 1 368 32 33 ILE N N 128.549 . 1 369 33 34 PRO HA H 4.777 . 1 370 33 34 PRO HB2 H 2.420 . 2 371 33 34 PRO HB3 H 2.051 . 2 372 33 34 PRO HG2 H 2.037 . 2 373 33 34 PRO HG3 H 2.037 . 2 374 33 34 PRO HD2 H 3.883 . 2 375 33 34 PRO HD3 H 3.883 . 2 376 33 34 PRO C C 177.878 . 1 377 33 34 PRO CA C 63.110 . 1 378 33 34 PRO CB C 32.793 . 1 379 33 34 PRO CG C 27.859 . 1 380 33 34 PRO CD C 51.351 . 1 381 34 35 ALA H H 7.973 . 1 382 34 35 ALA HA H 3.722 . 1 383 34 35 ALA HB H 1.279 . 1 384 34 35 ALA C C 179.547 . 1 385 34 35 ALA CA C 54.835 . 1 386 34 35 ALA CB C 19.974 . 1 387 34 35 ALA N N 123.151 . 1 388 35 36 GLU H H 9.247 . 1 389 35 36 GLU HA H 4.022 . 1 390 35 36 GLU HB2 H 2.067 . 2 391 35 36 GLU HB3 H 2.067 . 2 392 35 36 GLU HG2 H 2.277 . 2 393 35 36 GLU HG3 H 2.401 . 2 394 35 36 GLU C C 176.479 . 1 395 35 36 GLU CA C 58.966 . 1 396 35 36 GLU CB C 28.642 . 1 397 35 36 GLU CG C 36.655 . 1 398 35 36 GLU N N 116.421 . 1 399 36 37 ASP H H 8.146 . 1 400 36 37 ASP HA H 4.955 . 1 401 36 37 ASP HB2 H 2.750 . 2 402 36 37 ASP HB3 H 2.900 . 2 403 36 37 ASP C C 176.823 . 1 404 36 37 ASP CA C 54.568 . 1 405 36 37 ASP CB C 40.971 . 1 406 36 37 ASP N N 118.097 . 1 407 37 38 ILE H H 7.520 . 1 408 37 38 ILE HA H 3.636 . 1 409 37 38 ILE HB H 1.880 . 1 410 37 38 ILE HG12 H 1.174 . 2 411 37 38 ILE HG13 H 1.782 . 2 412 37 38 ILE HG2 H 0.793 . 1 413 37 38 ILE HD1 H 0.786 . 1 414 37 38 ILE CA C 68.859 . 1 415 37 38 ILE CB C 35.859 . 1 416 37 38 ILE CG1 C 32.369 . 1 417 37 38 ILE CG2 C 16.907 . 1 418 37 38 ILE CD1 C 12.952 . 1 419 37 38 ILE N N 121.429 . 1 420 38 39 PRO HA H 4.183 . 1 421 38 39 PRO HB2 H 2.314 . 2 422 38 39 PRO HB3 H 1.826 . 2 423 38 39 PRO HG2 H 1.918 . 2 424 38 39 PRO HG3 H 2.078 . 2 425 38 39 PRO HD2 H 3.497 . 2 426 38 39 PRO HD3 H 3.681 . 2 427 38 39 PRO C C 179.052 . 1 428 38 39 PRO CA C 65.906 . 1 429 38 39 PRO CB C 31.030 . 1 430 38 39 PRO CG C 28.396 . 1 431 38 39 PRO CD C 49.105 . 1 432 39 40 ARG H H 7.367 . 1 433 39 40 ARG HA H 4.237 . 1 434 39 40 ARG HB2 H 1.907 . 2 435 39 40 ARG HB3 H 1.907 . 2 436 39 40 ARG HG2 H 1.642 . 2 437 39 40 ARG HG3 H 1.726 . 2 438 39 40 ARG HD2 H 3.156 . 2 439 39 40 ARG HD3 H 3.265 . 2 440 39 40 ARG HE H 7.254 . 1 441 39 40 ARG HH11 H 6.692 . 2 442 39 40 ARG HH12 H 6.423 . 1 443 39 40 ARG HH22 H 6.692 . 2 444 39 40 ARG C C 176.002 . 1 445 39 40 ARG CA C 57.362 . 1 446 39 40 ARG CB C 30.510 . 1 447 39 40 ARG CG C 28.017 . 1 448 39 40 ARG CD C 44.011 . 1 449 39 40 ARG N N 115.064 . 1 450 39 40 ARG NE N 84.249 . 1 451 40 41 LEU H H 7.782 . 1 452 40 41 LEU HA H 4.080 . 1 453 40 41 LEU HB2 H 1.339 . 2 454 40 41 LEU HB3 H 1.809 . 2 455 40 41 LEU HG H 1.679 . 1 456 40 41 LEU HD1 H 0.729 . 1 457 40 41 LEU HD2 H 0.736 . 1 458 40 41 LEU C C 177.804 . 1 459 40 41 LEU CA C 55.770 . 1 460 40 41 LEU CB C 42.782 . 1 461 40 41 LEU CG C 27.021 . 1 462 40 41 LEU CD1 C 26.652 . 2 463 40 41 LEU CD2 C 24.089 . 2 464 40 41 LEU N N 118.158 . 1 465 41 42 ILE H H 6.799 . 1 466 41 42 ILE HA H 3.345 . 1 467 41 42 ILE HB H 1.819 . 1 468 41 42 ILE HG12 H 1.138 . 2 469 41 42 ILE HG13 H 1.709 . 2 470 41 42 ILE HG2 H 0.994 . 1 471 41 42 ILE HD1 H 0.755 . 1 472 41 42 ILE C C 178.078 . 1 473 41 42 ILE CA C 62.606 . 1 474 41 42 ILE CB C 36.606 . 1 475 41 42 ILE CG1 C 27.398 . 1 476 41 42 ILE CG2 C 17.344 . 1 477 41 42 ILE CD1 C 11.937 . 1 478 41 42 ILE N N 115.608 . 1 479 42 43 SER H H 9.328 . 1 480 42 43 SER HA H 3.991 . 1 481 42 43 SER HB2 H 3.977 . 2 482 42 43 SER HB3 H 4.282 . 2 483 42 43 SER C C 173.816 . 1 484 42 43 SER CA C 62.348 . 1 485 42 43 SER CB C 62.947 . 1 486 42 43 SER N N 121.395 . 1 487 43 44 MET H H 8.806 . 1 488 43 44 MET HA H 4.449 . 1 489 43 44 MET HB2 H 2.031 . 2 490 43 44 MET HB3 H 2.168 . 2 491 43 44 MET HG2 H 2.357 . 2 492 43 44 MET HG3 H 2.797 . 2 493 43 44 MET HE H 2.061 . 1 494 43 44 MET C C 175.128 . 1 495 43 44 MET CA C 57.119 . 1 496 43 44 MET CB C 32.831 . 1 497 43 44 MET CG C 34.029 . 1 498 43 44 MET CE C 17.645 . 1 499 43 44 MET N N 123.672 . 1 500 44 45 GLN H H 8.947 . 1 501 44 45 GLN HA H 5.256 . 1 502 44 45 GLN HB2 H 1.718 . 2 503 44 45 GLN HB3 H 1.718 . 2 504 44 45 GLN HG2 H 2.005 . 2 505 44 45 GLN HG3 H 2.226 . 2 506 44 45 GLN HE21 H 7.510 . 2 507 44 45 GLN HE22 H 6.895 . 2 508 44 45 GLN C C 177.035 . 1 509 44 45 GLN CA C 54.304 . 1 510 44 45 GLN CB C 32.083 . 1 511 44 45 GLN CG C 34.046 . 1 512 44 45 GLN N N 118.463 . 1 513 44 45 GLN NE2 N 111.288 . 1 514 45 46 VAL H H 7.564 . 1 515 45 46 VAL HA H 5.297 . 1 516 45 46 VAL HB H 2.414 . 1 517 45 46 VAL HG1 H 1.001 . 1 518 45 46 VAL HG2 H 1.142 . 1 519 45 46 VAL C C 177.962 . 1 520 45 46 VAL CA C 59.950 . 1 521 45 46 VAL CB C 33.437 . 1 522 45 46 VAL CG1 C 22.456 . 2 523 45 46 VAL CG2 C 20.876 . 2 524 45 46 VAL N N 111.238 . 1 525 46 47 ASN H H 8.556 . 1 526 46 47 ASN HA H 4.716 . 1 527 46 47 ASN HB2 H 2.373 . 2 528 46 47 ASN HB3 H 3.276 . 2 529 46 47 ASN HD21 H 7.245 . 1 530 46 47 ASN HD22 H 7.245 . 1 531 46 47 ASN C C 174.812 . 1 532 46 47 ASN CA C 51.680 . 1 533 46 47 ASN CB C 39.469 . 1 534 46 47 ASN CG C 175.465 . 1 535 46 47 ASN N N 118.782 . 1 536 46 47 ASN ND2 N 110.245 . 1 537 47 48 GLN H H 7.663 . 1 538 47 48 GLN HA H 4.549 . 1 539 47 48 GLN HB2 H 2.064 . 2 540 47 48 GLN HB3 H 2.283 . 2 541 47 48 GLN HG2 H 1.796 . 2 542 47 48 GLN HG3 H 2.291 . 2 543 47 48 GLN HE21 H 7.896 . 2 544 47 48 GLN HE22 H 7.256 . 2 545 47 48 GLN C C 172.365 . 1 546 47 48 GLN CA C 53.013 . 1 547 47 48 GLN CB C 32.841 . 1 548 47 48 GLN CG C 32.453 . 1 549 47 48 GLN CD C 181.631 . 1 550 47 48 GLN N N 112.810 . 1 551 47 48 GLN NE2 N 111.949 . 1 552 48 49 VAL H H 8.407 . 1 553 48 49 VAL HA H 4.184 . 1 554 48 49 VAL HB H 1.912 . 1 555 48 49 VAL HG1 H 1.045 . 1 556 48 49 VAL HG2 H 0.787 . 1 557 48 49 VAL C C 176.865 . 1 558 48 49 VAL CA C 62.932 . 1 559 48 49 VAL CB C 31.788 . 1 560 48 49 VAL CG1 C 23.358 . 2 561 48 49 VAL CG2 C 20.917 . 2 562 48 49 VAL N N 118.841 . 1 563 49 50 VAL H H 9.165 . 1 564 49 50 VAL HA H 4.547 . 1 565 49 50 VAL HB H 2.264 . 1 566 49 50 VAL HG1 H 0.847 . 1 567 49 50 VAL HG2 H 0.968 . 1 568 49 50 VAL CA C 59.419 . 1 569 49 50 VAL CB C 33.236 . 1 570 49 50 VAL CG1 C 22.385 . 2 571 49 50 VAL CG2 C 20.093 . 2 572 49 50 VAL N N 130.600 . 1 573 50 51 PRO HA H 4.227 . 1 574 50 51 PRO HB2 H 2.328 . 2 575 50 51 PRO HB3 H 1.628 . 2 576 50 51 PRO HG2 H 1.748 . 2 577 50 51 PRO HG3 H 2.019 . 2 578 50 51 PRO HD2 H 3.623 . 2 579 50 51 PRO HD3 H 3.880 . 2 580 50 51 PRO C C 176.512 . 1 581 50 51 PRO CA C 62.220 . 1 582 50 51 PRO CB C 32.282 . 1 583 50 51 PRO CG C 27.706 . 1 584 50 51 PRO CD C 51.183 . 1 585 51 52 MET H H 8.598 . 1 586 51 52 MET HA H 3.322 . 1 587 51 52 MET HB2 H 1.621 . 2 588 51 52 MET HB3 H 1.911 . 2 589 51 52 MET HG2 H 1.995 . 2 590 51 52 MET HG3 H 2.269 . 2 591 51 52 MET HE H 2.038 . 1 592 51 52 MET C C 176.953 . 1 593 51 52 MET CA C 58.534 . 1 594 51 52 MET CB C 32.593 . 1 595 51 52 MET CG C 31.060 . 1 596 51 52 MET CE C 17.082 . 1 597 51 52 MET N N 123.146 . 1 598 52 53 GLY H H 8.852 . 1 599 52 53 GLY HA2 H 4.256 . 2 600 52 53 GLY HA3 H 3.373 . 1 601 52 53 GLY C C 173.693 . 1 602 52 53 GLY CA C 45.046 . 1 603 52 53 GLY N N 114.707 . 1 604 53 54 THR H H 7.706 . 1 605 53 54 THR HA H 4.143 . 1 606 53 54 THR HB H 4.042 . 1 607 53 54 THR HG1 H 5.746 . 1 608 53 54 THR HG2 H 1.255 . 1 609 53 54 THR C C 173.482 . 1 610 53 54 THR CA C 63.363 . 1 611 53 54 THR CB C 69.448 . 1 612 53 54 THR CG2 C 21.516 . 1 613 53 54 THR N N 119.372 . 1 614 54 55 THR H H 8.914 . 1 615 54 55 THR HA H 4.137 . 1 616 54 55 THR HB H 3.920 . 1 617 54 55 THR HG1 H 6.074 . 1 618 54 55 THR HG2 H 1.070 . 1 619 54 55 THR C C 173.018 . 1 620 54 55 THR CA C 63.314 . 1 621 54 55 THR CB C 68.846 . 1 622 54 55 THR CG2 C 23.049 . 1 623 54 55 THR N N 125.168 . 1 624 55 56 LEU H H 9.006 . 1 625 55 56 LEU HA H 4.298 . 1 626 55 56 LEU HB2 H 0.999 . 2 627 55 56 LEU HB3 H 1.443 . 2 628 55 56 LEU HG H 1.308 . 1 629 55 56 LEU HD1 H 0.730 . 1 630 55 56 LEU HD2 H 0.594 . 1 631 55 56 LEU C C 174.234 . 1 632 55 56 LEU CA C 55.132 . 1 633 55 56 LEU CB C 42.317 . 1 634 55 56 LEU CG C 28.038 . 1 635 55 56 LEU CD1 C 25.098 . 2 636 55 56 LEU CD2 C 26.487 . 2 637 55 56 LEU N N 131.166 . 1 638 56 57 MET H H 8.028 . 1 639 56 57 MET HA H 5.043 . 1 640 56 57 MET HB2 H 1.802 . 2 641 56 57 MET HB3 H 2.230 . 2 642 56 57 MET HG2 H 2.559 . 2 643 56 57 MET HG3 H 2.843 . 2 644 56 57 MET HE H 2.010 . 1 645 56 57 MET CA C 51.058 . 1 646 56 57 MET CB C 31.593 . 1 647 56 57 MET CG C 31.977 . 1 648 56 57 MET CE C 16.679 . 1 649 56 57 MET N N 126.627 . 1 650 57 58 PRO HA H 3.695 . 1 651 57 58 PRO HB2 H 2.428 . 2 652 57 58 PRO HB3 H 2.076 . 2 653 57 58 PRO HG2 H 1.883 . 2 654 57 58 PRO HG3 H 2.279 . 2 655 57 58 PRO HD2 H 3.569 . 2 656 57 58 PRO HD3 H 3.875 . 2 657 57 58 PRO C C 176.780 . 1 658 57 58 PRO CA C 66.142 . 1 659 57 58 PRO CB C 32.795 . 1 660 57 58 PRO CG C 27.867 . 1 661 57 58 PRO CD C 50.453 . 1 662 58 59 ASP H H 8.036 . 1 663 58 59 ASP HA H 4.436 . 1 664 58 59 ASP HB2 H 2.641 . 2 665 58 59 ASP HB3 H 2.764 . 2 666 58 59 ASP C C 176.945 . 1 667 58 59 ASP CA C 54.660 . 1 668 58 59 ASP CB C 39.716 . 1 669 58 59 ASP N N 110.360 . 1 670 59 60 MET H H 8.066 . 1 671 59 60 MET HA H 4.642 . 1 672 59 60 MET HB2 H 2.030 . 2 673 59 60 MET HB3 H 2.087 . 2 674 59 60 MET HG2 H 2.407 . 2 675 59 60 MET HG3 H 2.558 . 2 676 59 60 MET HE H 2.136 . 1 677 59 60 MET C C 174.817 . 1 678 59 60 MET CA C 56.757 . 1 679 59 60 MET CB C 33.587 . 1 680 59 60 MET CG C 32.807 . 1 681 59 60 MET CE C 17.600 . 1 682 59 60 MET N N 116.951 . 1 683 60 61 VAL H H 7.109 . 1 684 60 61 VAL HA H 4.351 . 1 685 60 61 VAL HB H 1.753 . 1 686 60 61 VAL HG1 H 0.837 . 1 687 60 61 VAL HG2 H 0.538 . 1 688 60 61 VAL C C 176.067 . 1 689 60 61 VAL CA C 61.229 . 1 690 60 61 VAL CB C 33.146 . 1 691 60 61 VAL CG1 C 22.448 . 2 692 60 61 VAL CG2 C 20.958 . 2 693 60 61 VAL N N 117.470 . 1 694 61 62 LYS H H 9.069 . 1 695 61 62 LYS HA H 4.122 . 1 696 61 62 LYS HB2 H 1.806 . 2 697 61 62 LYS HB3 H 1.806 . 2 698 61 62 LYS HG2 H 1.283 . 2 699 61 62 LYS HG3 H 1.434 . 2 700 61 62 LYS HD2 H 1.575 . 2 701 61 62 LYS HD3 H 1.699 . 2 702 61 62 LYS HE2 H 2.855 . 2 703 61 62 LYS HE3 H 2.938 . 2 704 61 62 LYS C C 177.652 . 1 705 61 62 LYS CA C 58.146 . 1 706 61 62 LYS CB C 32.336 . 1 707 61 62 LYS CG C 25.646 . 1 708 61 62 LYS CD C 29.855 . 1 709 61 62 LYS CE C 42.200 . 1 710 61 62 LYS N N 128.839 . 1 711 62 63 GLY H H 9.094 . 1 712 62 63 GLY HA2 H 4.083 . 2 713 62 63 GLY HA3 H 3.692 . 1 714 62 63 GLY C C 174.621 . 1 715 62 63 GLY CA C 45.506 . 1 716 62 63 GLY N N 113.363 . 1 717 63 64 TYR H H 7.564 . 1 718 63 64 TYR HA H 3.971 . 1 719 63 64 TYR HB2 H 2.705 . 2 720 63 64 TYR HB3 H 3.035 . 2 721 63 64 TYR HD1 H 6.838 . 3 722 63 64 TYR HD2 H 6.838 . 3 723 63 64 TYR HE1 H 6.511 . 3 724 63 64 TYR HE2 H 6.511 . 3 725 63 64 TYR C C 174.228 . 1 726 63 64 TYR CA C 60.374 . 1 727 63 64 TYR CB C 39.040 . 1 728 63 64 TYR CD2 C 132.668 . 3 729 63 64 TYR CE2 C 117.288 . 3 730 63 64 TYR N N 120.959 . 1 731 64 65 ALA H H 7.546 . 1 732 64 65 ALA HA H 4.425 . 1 733 64 65 ALA HB H 1.191 . 1 734 64 65 ALA CA C 49.480 . 1 735 64 65 ALA CB C 19.620 . 1 736 64 65 ALA N N 129.533 . 1 737 65 66 PRO HA H 4.250 . 1 738 65 66 PRO HB2 H 2.354 . 2 739 65 66 PRO HB3 H 1.910 . 2 740 65 66 PRO HG2 H 1.996 . 2 741 65 66 PRO HG3 H 1.996 . 2 742 65 66 PRO HD2 H 3.531 . 2 743 65 66 PRO HD3 H 3.583 . 2 744 65 66 PRO C C 175.380 . 1 745 65 66 PRO CA C 62.712 . 1 746 65 66 PRO CB C 32.210 . 1 747 65 66 PRO CG C 27.312 . 1 748 65 66 PRO CD C 50.579 . 1 749 66 67 ALA H H 8.450 . 1 750 66 67 ALA HA H 3.967 . 1 751 66 67 ALA HB H 1.274 . 1 752 66 67 ALA CA C 53.922 . 1 753 66 67 ALA CB C 19.707 . 1 754 66 67 ALA N N 130.797 . 1 stop_ save_