data_10046 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PB1 domain of mouse mitogen activated protein kinase kinase 5 (MAP2K5) ; _BMRB_accession_number 10046 _BMRB_flat_file_name bmr10046.str _Entry_type original _Submission_date 2006-11-09 _Accession_date 2006-11-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yoneyama M. . . 2 Hayashi F. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 617 "13C chemical shifts" 473 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-13 original author . stop_ _Original_release_date 2008-08-13 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the PB1 domain of mouse mitogen activated protein kinase kinase 5 (MAP2K5) ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yoneyama M. . . 2 Hayashi F. . . 3 Tochio N. . . 4 Koshiba S. . . 5 Inoue M. . . 6 Kigawa T. . . 7 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mitogen activated protein kinase kinase 5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Mitogen activated protein kinase kinase 5' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PB1 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GSSGSSGPFCAMENQVLVIR IKIPNSGAVDWTVHSGPQLL FRDVLDVIGQVLPEATTTAF EYEDEDGDRITVRSDEEMKA MLSYYYSTVMEQQVNGQLIE PLQIFPRSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 PHE 10 CYS 11 ALA 12 MET 13 GLU 14 ASN 15 GLN 16 VAL 17 LEU 18 VAL 19 ILE 20 ARG 21 ILE 22 LYS 23 ILE 24 PRO 25 ASN 26 SER 27 GLY 28 ALA 29 VAL 30 ASP 31 TRP 32 THR 33 VAL 34 HIS 35 SER 36 GLY 37 PRO 38 GLN 39 LEU 40 LEU 41 PHE 42 ARG 43 ASP 44 VAL 45 LEU 46 ASP 47 VAL 48 ILE 49 GLY 50 GLN 51 VAL 52 LEU 53 PRO 54 GLU 55 ALA 56 THR 57 THR 58 THR 59 ALA 60 PHE 61 GLU 62 TYR 63 GLU 64 ASP 65 GLU 66 ASP 67 GLY 68 ASP 69 ARG 70 ILE 71 THR 72 VAL 73 ARG 74 SER 75 ASP 76 GLU 77 GLU 78 MET 79 LYS 80 ALA 81 MET 82 LEU 83 SER 84 TYR 85 TYR 86 TYR 87 SER 88 THR 89 VAL 90 MET 91 GLU 92 GLN 93 GLN 94 VAL 95 ASN 96 GLY 97 GLN 98 LEU 99 ILE 100 GLU 101 PRO 102 LEU 103 GLN 104 ILE 105 PHE 106 PRO 107 ARG 108 SER 109 GLY 110 PRO 111 SER 112 SER 113 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 1WI0 "Solution Structure Of The Pb1 Domain Of Mouse Mitogen Activated Protein Kinase Kinase 5 (Map2k5)" 100.00 113 100.00 100.00 2.05e-76 DBJ BAB32187 "unnamed protein product [Mus musculus]" 89.38 118 100.00 100.00 1.49e-67 GB EDL26038 "mitogen activated protein kinase kinase 5, isoform CRA_b [Mus musculus]" 89.38 118 100.00 100.00 1.49e-67 GB EDL95771 "mitogen activated protein kinase kinase 5, isoform CRA_e [Rattus norvegicus]" 89.38 114 99.01 99.01 2.53e-66 GB EGW04324 "Dual specificity mitogen-activated protein kinase kinase 5 [Cricetulus griseus]" 90.27 719 98.04 99.02 7.45e-61 GB ELK05300 "Ladybird homeobox corepressor 1 [Pteropus alecto]" 90.27 1243 98.04 99.02 1.43e-59 GB ELW62370 "Dual specificity mitogen-activated protein kinase kinase 5 [Tupaia chinensis]" 89.38 318 97.03 98.02 5.89e-62 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 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 _Vector_type _Vector_name $entity_1 'cell free synthesis' . . . . plasmid P031125-28 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 $entity_1 1 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name VNMR _Version 6.1c loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Jhonson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name Kujira _Version 0.896 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name CYANA _Version 1.0.8 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 297 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'Mitogen activated protein kinase kinase 5' _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 7 7 GLY HA2 H 4.093 0.030 1 2 7 7 GLY HA3 H 4.093 0.030 1 3 7 7 GLY CA C 44.792 0.300 1 4 8 8 PRO HA H 4.340 0.030 1 5 8 8 PRO HB2 H 2.127 0.030 2 6 8 8 PRO HB3 H 1.695 0.030 2 7 8 8 PRO HG2 H 1.912 0.030 2 8 8 8 PRO HG3 H 1.766 0.030 2 9 8 8 PRO HD2 H 3.548 0.030 1 10 8 8 PRO HD3 H 3.548 0.030 1 11 8 8 PRO C C 176.857 0.300 1 12 8 8 PRO CA C 63.296 0.300 1 13 8 8 PRO CB C 32.037 0.300 1 14 8 8 PRO CG C 27.072 0.300 1 15 8 8 PRO CD C 49.769 0.300 1 16 9 9 PHE H H 8.243 0.030 1 17 9 9 PHE HA H 4.560 0.030 1 18 9 9 PHE HB2 H 3.099 0.030 2 19 9 9 PHE HB3 H 3.027 0.030 2 20 9 9 PHE HD1 H 7.213 0.030 1 21 9 9 PHE HD2 H 7.213 0.030 1 22 9 9 PHE HE1 H 7.318 0.030 1 23 9 9 PHE HE2 H 7.318 0.030 1 24 9 9 PHE HZ H 7.280 0.030 1 25 9 9 PHE C C 175.667 0.300 1 26 9 9 PHE CA C 57.879 0.300 1 27 9 9 PHE CB C 39.209 0.300 1 28 9 9 PHE CD1 C 131.761 0.300 1 29 9 9 PHE CD2 C 131.761 0.300 1 30 9 9 PHE CE1 C 131.525 0.300 1 31 9 9 PHE CE2 C 131.525 0.300 1 32 9 9 PHE CZ C 129.827 0.300 1 33 9 9 PHE N N 119.637 0.300 1 34 10 10 CYS H H 7.999 0.030 1 35 10 10 CYS HA H 4.332 0.030 1 36 10 10 CYS HB2 H 2.806 0.030 1 37 10 10 CYS HB3 H 2.806 0.030 1 38 10 10 CYS C C 174.014 0.300 1 39 10 10 CYS CA C 58.648 0.300 1 40 10 10 CYS CB C 28.160 0.300 1 41 10 10 CYS N N 121.030 0.300 1 42 11 11 ALA H H 8.222 0.030 1 43 11 11 ALA HA H 4.208 0.030 1 44 11 11 ALA HB H 1.346 0.030 1 45 11 11 ALA C C 177.623 0.300 1 46 11 11 ALA CA C 52.811 0.300 1 47 11 11 ALA CB C 19.153 0.300 1 48 11 11 ALA N N 126.053 0.300 1 49 12 12 MET H H 8.076 0.030 1 50 12 12 MET HA H 4.332 0.030 1 51 12 12 MET HB2 H 1.988 0.030 2 52 12 12 MET HB3 H 1.878 0.030 2 53 12 12 MET HG2 H 2.466 0.030 2 54 12 12 MET HG3 H 2.414 0.030 2 55 12 12 MET C C 176.466 0.300 1 56 12 12 MET CA C 55.744 0.300 1 57 12 12 MET CB C 32.858 0.300 1 58 12 12 MET CG C 32.230 0.300 1 59 12 12 MET N N 118.575 0.300 1 60 13 13 GLU H H 8.348 0.030 1 61 13 13 GLU HA H 4.116 0.030 1 62 13 13 GLU HB2 H 1.978 0.030 2 63 13 13 GLU HB3 H 1.911 0.030 2 64 13 13 GLU HG2 H 2.208 0.030 1 65 13 13 GLU HG3 H 2.208 0.030 1 66 13 13 GLU C C 176.298 0.300 1 67 13 13 GLU CA C 57.452 0.300 1 68 13 13 GLU CB C 30.049 0.300 1 69 13 13 GLU CG C 36.306 0.300 1 70 13 13 GLU N N 120.888 0.300 1 71 14 14 ASN H H 8.295 0.030 1 72 14 14 ASN HA H 4.662 0.030 1 73 14 14 ASN HB2 H 2.846 0.030 2 74 14 14 ASN HB3 H 2.726 0.030 2 75 14 14 ASN HD21 H 7.535 0.030 2 76 14 14 ASN HD22 H 6.874 0.030 2 77 14 14 ASN C C 174.655 0.300 1 78 14 14 ASN CA C 53.514 0.300 1 79 14 14 ASN CB C 38.779 0.300 1 80 14 14 ASN N N 117.571 0.300 1 81 14 14 ASN ND2 N 112.786 0.300 1 82 15 15 GLN H H 8.018 0.030 1 83 15 15 GLN HA H 4.370 0.030 1 84 15 15 GLN HB2 H 2.090 0.030 2 85 15 15 GLN HB3 H 1.943 0.030 2 86 15 15 GLN HG2 H 2.272 0.030 1 87 15 15 GLN HG3 H 2.272 0.030 1 88 15 15 GLN HE21 H 7.421 0.030 2 89 15 15 GLN HE22 H 6.743 0.030 2 90 15 15 GLN C C 175.192 0.300 1 91 15 15 GLN CA C 55.551 0.300 1 92 15 15 GLN CB C 29.963 0.300 1 93 15 15 GLN CG C 33.899 0.300 1 94 15 15 GLN N N 119.835 0.300 1 95 15 15 GLN NE2 N 112.087 0.300 1 96 16 16 VAL H H 8.105 0.030 1 97 16 16 VAL HA H 4.251 0.030 1 98 16 16 VAL HB H 1.891 0.030 1 99 16 16 VAL HG1 H 0.816 0.030 1 100 16 16 VAL HG2 H 0.729 0.030 1 101 16 16 VAL C C 175.005 0.300 1 102 16 16 VAL CA C 62.008 0.300 1 103 16 16 VAL CB C 33.071 0.300 1 104 16 16 VAL CG1 C 21.037 0.300 2 105 16 16 VAL CG2 C 21.316 0.300 2 106 16 16 VAL N N 121.750 0.300 1 107 17 17 LEU H H 8.561 0.030 1 108 17 17 LEU HA H 4.550 0.030 1 109 17 17 LEU HB2 H 1.491 0.030 2 110 17 17 LEU HB3 H 1.600 0.030 2 111 17 17 LEU HG H 1.210 0.030 1 112 17 17 LEU HD1 H 0.584 0.030 1 113 17 17 LEU HD2 H 0.633 0.030 1 114 17 17 LEU C C 173.239 0.300 1 115 17 17 LEU CA C 54.294 0.300 1 116 17 17 LEU CB C 44.443 0.300 1 117 17 17 LEU CG C 27.344 0.300 1 118 17 17 LEU CD1 C 24.553 0.300 2 119 17 17 LEU CD2 C 26.218 0.300 2 120 17 17 LEU N N 128.762 0.300 1 121 18 18 VAL H H 8.374 0.030 1 122 18 18 VAL HA H 4.541 0.030 1 123 18 18 VAL HB H 1.766 0.030 1 124 18 18 VAL HG1 H 0.644 0.030 1 125 18 18 VAL HG2 H 0.806 0.030 1 126 18 18 VAL C C 174.439 0.300 1 127 18 18 VAL CA C 61.262 0.300 1 128 18 18 VAL CB C 32.787 0.300 1 129 18 18 VAL CG1 C 20.935 0.300 2 130 18 18 VAL CG2 C 21.069 0.300 2 131 18 18 VAL N N 126.007 0.300 1 132 19 19 ILE H H 8.811 0.030 1 133 19 19 ILE HA H 4.639 0.030 1 134 19 19 ILE HB H 1.685 0.030 1 135 19 19 ILE HG12 H 1.363 0.030 2 136 19 19 ILE HG13 H 0.788 0.030 2 137 19 19 ILE HG2 H 0.654 0.030 1 138 19 19 ILE HD1 H 0.460 0.030 1 139 19 19 ILE C C 173.858 0.300 1 140 19 19 ILE CA C 58.906 0.300 1 141 19 19 ILE CB C 39.984 0.300 1 142 19 19 ILE CG1 C 27.658 0.300 1 143 19 19 ILE CG2 C 17.352 0.300 1 144 19 19 ILE CD1 C 12.869 0.300 1 145 19 19 ILE N N 125.332 0.300 1 146 20 20 ARG H H 8.991 0.030 1 147 20 20 ARG HA H 5.129 0.030 1 148 20 20 ARG HB2 H 1.489 0.030 2 149 20 20 ARG HB3 H 1.243 0.030 2 150 20 20 ARG HG2 H 1.323 0.030 2 151 20 20 ARG HG3 H 1.225 0.030 2 152 20 20 ARG HD2 H 3.012 0.030 2 153 20 20 ARG HD3 H 2.852 0.030 2 154 20 20 ARG HE H 9.725 0.030 1 155 20 20 ARG C C 174.259 0.300 1 156 20 20 ARG CA C 54.087 0.300 1 157 20 20 ARG CB C 33.006 0.300 1 158 20 20 ARG CG C 26.354 0.300 1 159 20 20 ARG CD C 43.154 0.300 1 160 20 20 ARG N N 128.962 0.300 1 161 20 20 ARG NE N 85.987 0.300 1 162 21 21 ILE H H 9.458 0.030 1 163 21 21 ILE HA H 4.030 0.030 1 164 21 21 ILE HB H 1.842 0.030 1 165 21 21 ILE HG12 H 1.549 0.030 1 166 21 21 ILE HG13 H 1.549 0.030 1 167 21 21 ILE HG2 H 0.588 0.030 1 168 21 21 ILE HD1 H 0.592 0.030 1 169 21 21 ILE C C 175.284 0.300 1 170 21 21 ILE CA C 60.926 0.300 1 171 21 21 ILE CB C 38.761 0.300 1 172 21 21 ILE CG1 C 28.223 0.300 1 173 21 21 ILE CG2 C 18.414 0.300 1 174 21 21 ILE CD1 C 14.585 0.300 1 175 21 21 ILE N N 128.150 0.300 1 176 22 22 LYS H H 8.249 0.030 1 177 22 22 LYS HA H 4.312 0.030 1 178 22 22 LYS HB2 H 1.720 0.030 2 179 22 22 LYS HB3 H 1.420 0.030 2 180 22 22 LYS HG2 H 1.304 0.030 2 181 22 22 LYS HG3 H 1.050 0.030 2 182 22 22 LYS HD2 H 1.622 0.030 2 183 22 22 LYS HD3 H 1.570 0.030 2 184 22 22 LYS HE2 H 3.001 0.030 1 185 22 22 LYS HE3 H 3.001 0.030 1 186 22 22 LYS C C 175.032 0.300 1 187 22 22 LYS CA C 55.231 0.300 1 188 22 22 LYS CB C 31.716 0.300 1 189 22 22 LYS CG C 24.175 0.300 1 190 22 22 LYS CD C 28.239 0.300 1 191 22 22 LYS CE C 42.228 0.300 1 192 22 22 LYS N N 128.647 0.300 1 193 23 23 ILE H H 8.040 0.030 1 194 23 23 ILE HA H 4.425 0.030 1 195 23 23 ILE HB H 1.897 0.030 1 196 23 23 ILE HG12 H 1.509 0.030 2 197 23 23 ILE HG13 H 1.088 0.030 2 198 23 23 ILE HG2 H 0.936 0.030 1 199 23 23 ILE HD1 H 0.769 0.030 1 200 23 23 ILE C C 175.032 0.300 1 201 23 23 ILE CA C 58.117 0.300 1 202 23 23 ILE CB C 38.505 0.300 1 203 23 23 ILE CG1 C 27.072 0.300 1 204 23 23 ILE CG2 C 17.864 0.300 1 205 23 23 ILE CD1 C 12.747 0.300 1 206 23 23 ILE N N 126.946 0.300 1 207 24 24 PRO HA H 4.303 0.030 1 208 24 24 PRO HB2 H 2.325 0.030 2 209 24 24 PRO HB3 H 1.877 0.030 2 210 24 24 PRO HG2 H 2.138 0.030 2 211 24 24 PRO HG3 H 2.062 0.030 2 212 24 24 PRO HD2 H 3.963 0.030 2 213 24 24 PRO HD3 H 3.660 0.030 2 214 24 24 PRO C C 177.357 0.300 1 215 24 24 PRO CA C 64.342 0.300 1 216 24 24 PRO CB C 31.884 0.300 1 217 24 24 PRO CG C 27.744 0.300 1 218 24 24 PRO CD C 51.196 0.300 1 219 25 25 ASN H H 8.911 0.030 1 220 25 25 ASN HA H 4.416 0.030 1 221 25 25 ASN HB2 H 2.989 0.030 2 222 25 25 ASN HB3 H 2.958 0.030 2 223 25 25 ASN HD21 H 7.631 0.030 2 224 25 25 ASN HD22 H 6.951 0.030 2 225 25 25 ASN C C 174.652 0.300 1 226 25 25 ASN CA C 54.804 0.300 1 227 25 25 ASN CB C 38.033 0.300 1 228 25 25 ASN N N 116.212 0.300 1 229 25 25 ASN ND2 N 113.988 0.300 1 230 26 26 SER H H 7.888 0.030 1 231 26 26 SER HA H 4.620 0.030 1 232 26 26 SER HB2 H 3.661 0.030 1 233 26 26 SER HB3 H 3.661 0.030 1 234 26 26 SER C C 174.409 0.300 1 235 26 26 SER CA C 57.310 0.300 1 236 26 26 SER CB C 63.763 0.300 1 237 26 26 SER N N 113.255 0.300 1 238 27 27 GLY H H 8.213 0.030 1 239 27 27 GLY HA2 H 4.154 0.030 2 240 27 27 GLY HA3 H 3.854 0.030 2 241 27 27 GLY C C 172.556 0.300 1 242 27 27 GLY CA C 45.066 0.300 1 243 27 27 GLY N N 109.627 0.300 1 244 28 28 ALA H H 8.257 0.030 1 245 28 28 ALA HA H 5.033 0.030 1 246 28 28 ALA HB H 1.195 0.030 1 247 28 28 ALA C C 176.989 0.300 1 248 28 28 ALA CA C 51.501 0.300 1 249 28 28 ALA CB C 21.247 0.300 1 250 28 28 ALA N N 123.332 0.300 1 251 29 29 VAL H H 8.455 0.030 1 252 29 29 VAL HA H 4.286 0.030 1 253 29 29 VAL HB H 1.878 0.030 1 254 29 29 VAL HG1 H 0.952 0.030 1 255 29 29 VAL HG2 H 0.952 0.030 1 256 29 29 VAL C C 173.585 0.300 1 257 29 29 VAL CA C 61.382 0.300 1 258 29 29 VAL CB C 35.406 0.300 1 259 29 29 VAL CG1 C 20.988 0.300 1 260 29 29 VAL CG2 C 20.988 0.300 1 261 29 29 VAL N N 121.363 0.300 1 262 30 30 ASP H H 8.446 0.030 1 263 30 30 ASP HA H 5.456 0.030 1 264 30 30 ASP HB2 H 2.481 0.030 2 265 30 30 ASP HB3 H 2.234 0.030 2 266 30 30 ASP C C 175.600 0.300 1 267 30 30 ASP CA C 53.494 0.300 1 268 30 30 ASP CB C 40.953 0.300 1 269 30 30 ASP N N 127.177 0.300 1 270 31 31 TRP H H 9.777 0.030 1 271 31 31 TRP HA H 4.843 0.030 1 272 31 31 TRP HB2 H 3.234 0.030 2 273 31 31 TRP HB3 H 2.670 0.030 2 274 31 31 TRP HD1 H 6.961 0.030 1 275 31 31 TRP HE1 H 10.026 0.030 1 276 31 31 TRP HE3 H 7.199 0.030 1 277 31 31 TRP HZ2 H 7.369 0.030 1 278 31 31 TRP HZ3 H 6.814 0.030 1 279 31 31 TRP HH2 H 6.898 0.030 1 280 31 31 TRP C C 174.134 0.300 1 281 31 31 TRP CA C 55.573 0.300 1 282 31 31 TRP CB C 31.262 0.300 1 283 31 31 TRP CD1 C 125.684 0.300 1 284 31 31 TRP CE3 C 119.947 0.300 1 285 31 31 TRP CZ2 C 114.567 0.300 1 286 31 31 TRP CZ3 C 121.087 0.300 1 287 31 31 TRP CH2 C 124.088 0.300 1 288 31 31 TRP N N 128.822 0.300 1 289 31 31 TRP NE1 N 128.496 0.300 1 290 32 32 THR H H 8.257 0.030 1 291 32 32 THR HA H 4.427 0.030 1 292 32 32 THR HB H 3.814 0.030 1 293 32 32 THR HG2 H 0.829 0.030 1 294 32 32 THR C C 173.124 0.300 1 295 32 32 THR CA C 63.080 0.300 1 296 32 32 THR CB C 68.888 0.300 1 297 32 32 THR CG2 C 21.563 0.300 1 298 32 32 THR N N 123.993 0.300 1 299 33 33 VAL H H 8.950 0.030 1 300 33 33 VAL HA H 3.871 0.030 1 301 33 33 VAL HB H 1.835 0.030 1 302 33 33 VAL HG1 H 0.656 0.030 1 303 33 33 VAL HG2 H 0.285 0.030 1 304 33 33 VAL C C 175.250 0.300 1 305 33 33 VAL CA C 61.005 0.300 1 306 33 33 VAL CB C 33.014 0.300 1 307 33 33 VAL CG1 C 21.617 0.300 2 308 33 33 VAL CG2 C 20.361 0.300 2 309 33 33 VAL N N 127.529 0.300 1 310 34 34 HIS H H 8.416 0.030 1 311 34 34 HIS HA H 4.562 0.030 1 312 34 34 HIS HB2 H 3.147 0.030 2 313 34 34 HIS HB3 H 2.998 0.030 2 314 34 34 HIS HD2 H 6.997 0.030 1 315 34 34 HIS HE1 H 7.848 0.030 1 316 34 34 HIS C C 175.297 0.300 1 317 34 34 HIS CA C 57.369 0.300 1 318 34 34 HIS CB C 30.561 0.300 1 319 34 34 HIS CD2 C 119.698 0.300 1 320 34 34 HIS CE1 C 138.135 0.300 1 321 34 34 HIS N N 124.903 0.300 1 322 35 35 SER H H 7.962 0.030 1 323 35 35 SER HA H 4.468 0.030 1 324 35 35 SER HB2 H 3.814 0.030 2 325 35 35 SER HB3 H 3.722 0.030 2 326 35 35 SER C C 174.900 0.300 1 327 35 35 SER CA C 57.424 0.300 1 328 35 35 SER CB C 63.525 0.300 1 329 35 35 SER N N 114.534 0.300 1 330 36 36 GLY H H 8.509 0.030 1 331 36 36 GLY HA2 H 4.243 0.030 2 332 36 36 GLY HA3 H 3.763 0.030 2 333 36 36 GLY C C 174.900 0.300 1 334 36 36 GLY CA C 46.719 0.300 1 335 36 36 GLY N N 111.935 0.300 1 336 37 37 PRO HA H 4.340 0.030 1 337 37 37 PRO HB2 H 2.272 0.030 2 338 37 37 PRO HB3 H 1.856 0.030 2 339 37 37 PRO HG2 H 1.944 0.030 2 340 37 37 PRO HG3 H 1.821 0.030 2 341 37 37 PRO HD2 H 3.692 0.030 2 342 37 37 PRO HD3 H 3.634 0.030 2 343 37 37 PRO C C 176.744 0.300 1 344 37 37 PRO CA C 64.286 0.300 1 345 37 37 PRO CB C 32.101 0.300 1 346 37 37 PRO CG C 27.604 0.300 1 347 37 37 PRO CD C 50.661 0.300 1 348 38 38 GLN H H 7.727 0.030 1 349 38 38 GLN HA H 4.336 0.030 1 350 38 38 GLN HB2 H 2.170 0.030 2 351 38 38 GLN HB3 H 1.947 0.030 2 352 38 38 GLN HG2 H 2.312 0.030 1 353 38 38 GLN HG3 H 2.312 0.030 1 354 38 38 GLN HE21 H 7.595 0.030 2 355 38 38 GLN HE22 H 6.851 0.030 2 356 38 38 GLN C C 175.006 0.300 1 357 38 38 GLN CA C 55.431 0.300 1 358 38 38 GLN CB C 29.194 0.300 1 359 38 38 GLN CG C 34.334 0.300 1 360 38 38 GLN N N 115.642 0.300 1 361 38 38 GLN NE2 N 112.225 0.300 1 362 39 39 LEU H H 7.667 0.030 1 363 39 39 LEU HA H 4.240 0.030 1 364 39 39 LEU HB2 H 1.698 0.030 2 365 39 39 LEU HB3 H 1.482 0.030 2 366 39 39 LEU HG H 1.527 0.030 1 367 39 39 LEU HD1 H 0.962 0.030 1 368 39 39 LEU HD2 H 0.704 0.030 1 369 39 39 LEU C C 175.103 0.300 1 370 39 39 LEU CA C 55.829 0.300 1 371 39 39 LEU CB C 43.086 0.300 1 372 39 39 LEU CG C 26.840 0.300 1 373 39 39 LEU CD1 C 24.547 0.300 2 374 39 39 LEU CD2 C 25.855 0.300 2 375 39 39 LEU N N 124.636 0.300 1 376 40 40 LEU H H 8.762 0.030 1 377 40 40 LEU HA H 4.831 0.030 1 378 40 40 LEU HB2 H 1.974 0.030 2 379 40 40 LEU HB3 H 1.731 0.030 2 380 40 40 LEU HG H 1.820 0.030 1 381 40 40 LEU HD1 H 1.006 0.030 1 382 40 40 LEU HD2 H 0.917 0.030 1 383 40 40 LEU C C 178.427 0.300 1 384 40 40 LEU CA C 53.267 0.300 1 385 40 40 LEU CB C 43.732 0.300 1 386 40 40 LEU CG C 26.889 0.300 1 387 40 40 LEU CD1 C 25.815 0.300 2 388 40 40 LEU CD2 C 22.533 0.300 2 389 40 40 LEU N N 125.601 0.300 1 390 41 41 PHE H H 9.998 0.030 1 391 41 41 PHE HA H 4.526 0.030 1 392 41 41 PHE HB2 H 3.021 0.030 1 393 41 41 PHE HB3 H 3.021 0.030 1 394 41 41 PHE HD1 H 7.086 0.030 1 395 41 41 PHE HD2 H 7.086 0.030 1 396 41 41 PHE HE1 H 7.065 0.030 1 397 41 41 PHE HE2 H 7.065 0.030 1 398 41 41 PHE HZ H 7.428 0.030 1 399 41 41 PHE C C 177.980 0.300 1 400 41 41 PHE CA C 61.981 0.300 1 401 41 41 PHE CB C 39.144 0.300 1 402 41 41 PHE CD1 C 131.080 0.300 1 403 41 41 PHE CD2 C 131.080 0.300 1 404 41 41 PHE CE1 C 132.151 0.300 1 405 41 41 PHE CE2 C 132.151 0.300 1 406 41 41 PHE CZ C 130.177 0.300 1 407 41 41 PHE N N 126.037 0.300 1 408 42 42 ARG H H 9.150 0.030 1 409 42 42 ARG HA H 3.621 0.030 1 410 42 42 ARG HB2 H 1.921 0.030 2 411 42 42 ARG HB3 H 1.813 0.030 2 412 42 42 ARG HG2 H 1.784 0.030 2 413 42 42 ARG HG3 H 1.689 0.030 2 414 42 42 ARG HD2 H 3.251 0.030 2 415 42 42 ARG HD3 H 3.174 0.030 2 416 42 42 ARG C C 177.616 0.300 1 417 42 42 ARG CA C 58.333 0.300 1 418 42 42 ARG CB C 29.711 0.300 1 419 42 42 ARG CG C 26.509 0.300 1 420 42 42 ARG CD C 43.144 0.300 1 421 42 42 ARG N N 116.320 0.300 1 422 43 43 ASP H H 7.202 0.030 1 423 43 43 ASP HA H 4.383 0.030 1 424 43 43 ASP HB2 H 3.253 0.030 2 425 43 43 ASP HB3 H 2.746 0.030 2 426 43 43 ASP C C 179.014 0.300 1 427 43 43 ASP CA C 57.393 0.300 1 428 43 43 ASP CB C 40.953 0.300 1 429 43 43 ASP N N 117.792 0.300 1 430 44 44 VAL H H 7.361 0.030 1 431 44 44 VAL HA H 3.422 0.030 1 432 44 44 VAL HB H 2.039 0.030 1 433 44 44 VAL HG1 H 0.136 0.030 1 434 44 44 VAL HG2 H 0.929 0.030 1 435 44 44 VAL C C 177.982 0.300 1 436 44 44 VAL CA C 65.766 0.300 1 437 44 44 VAL CB C 31.003 0.300 1 438 44 44 VAL CG1 C 21.998 0.300 2 439 44 44 VAL CG2 C 22.899 0.300 2 440 44 44 VAL N N 119.413 0.300 1 441 45 45 LEU H H 7.592 0.030 1 442 45 45 LEU HA H 3.636 0.030 1 443 45 45 LEU HB2 H 1.553 0.030 2 444 45 45 LEU HB3 H 1.255 0.030 2 445 45 45 LEU HG H 0.943 0.030 1 446 45 45 LEU HD1 H 0.462 0.030 1 447 45 45 LEU HD2 H 0.540 0.030 1 448 45 45 LEU C C 180.165 0.300 1 449 45 45 LEU CA C 58.136 0.300 1 450 45 45 LEU CB C 40.501 0.300 1 451 45 45 LEU CG C 26.096 0.300 1 452 45 45 LEU CD1 C 22.005 0.300 2 453 45 45 LEU CD2 C 25.805 0.300 2 454 45 45 LEU N N 117.715 0.300 1 455 46 46 ASP H H 8.074 0.030 1 456 46 46 ASP HA H 4.282 0.030 1 457 46 46 ASP HB2 H 2.780 0.030 2 458 46 46 ASP HB3 H 2.571 0.030 2 459 46 46 ASP C C 178.916 0.300 1 460 46 46 ASP CA C 57.338 0.300 1 461 46 46 ASP CB C 40.178 0.300 1 462 46 46 ASP N N 120.456 0.300 1 463 47 47 VAL H H 7.119 0.030 1 464 47 47 VAL HA H 3.165 0.030 1 465 47 47 VAL HB H 1.364 0.030 1 466 47 47 VAL HG1 H -0.176 0.030 1 467 47 47 VAL HG2 H 0.088 0.030 1 468 47 47 VAL C C 178.359 0.300 1 469 47 47 VAL CA C 66.592 0.300 1 470 47 47 VAL CB C 30.938 0.300 1 471 47 47 VAL CG1 C 19.775 0.300 2 472 47 47 VAL CG2 C 21.694 0.300 2 473 47 47 VAL N N 121.237 0.300 1 474 48 48 ILE H H 8.083 0.030 1 475 48 48 ILE HA H 3.232 0.030 1 476 48 48 ILE HB H 1.683 0.030 1 477 48 48 ILE HG12 H 1.683 0.030 2 478 48 48 ILE HG13 H 0.482 0.030 2 479 48 48 ILE HG2 H 0.886 0.030 1 480 48 48 ILE HD1 H 0.533 0.030 1 481 48 48 ILE C C 177.490 0.300 1 482 48 48 ILE CA C 66.326 0.300 1 483 48 48 ILE CB C 37.663 0.300 1 484 48 48 ILE CG1 C 29.472 0.300 1 485 48 48 ILE CG2 C 18.456 0.300 1 486 48 48 ILE CD1 C 14.628 0.300 1 487 48 48 ILE N N 119.636 0.300 1 488 49 49 GLY H H 8.068 0.030 1 489 49 49 GLY HA2 H 3.885 0.030 2 490 49 49 GLY HA3 H 3.742 0.030 2 491 49 49 GLY C C 175.097 0.300 1 492 49 49 GLY CA C 46.503 0.300 1 493 49 49 GLY N N 104.553 0.300 1 494 50 50 GLN H H 7.305 0.030 1 495 50 50 GLN HA H 4.123 0.030 1 496 50 50 GLN HB2 H 2.059 0.030 1 497 50 50 GLN HB3 H 2.059 0.030 1 498 50 50 GLN HG2 H 2.425 0.030 2 499 50 50 GLN HG3 H 2.306 0.030 2 500 50 50 GLN HE21 H 7.187 0.030 2 501 50 50 GLN HE22 H 6.721 0.030 2 502 50 50 GLN C C 177.863 0.300 1 503 50 50 GLN CA C 57.424 0.300 1 504 50 50 GLN CB C 29.194 0.300 1 505 50 50 GLN CG C 34.116 0.300 1 506 50 50 GLN N N 117.428 0.300 1 507 50 50 GLN NE2 N 111.872 0.300 1 508 51 51 VAL H H 7.504 0.030 1 509 51 51 VAL HA H 4.062 0.030 1 510 51 51 VAL HB H 2.112 0.030 1 511 51 51 VAL HG1 H 0.895 0.030 1 512 51 51 VAL HG2 H 0.843 0.030 1 513 51 51 VAL C C 175.304 0.300 1 514 51 51 VAL CA C 63.232 0.300 1 515 51 51 VAL CB C 32.554 0.300 1 516 51 51 VAL CG1 C 21.988 0.300 2 517 51 51 VAL CG2 C 21.069 0.300 2 518 51 51 VAL N N 115.728 0.300 1 519 52 52 LEU H H 8.276 0.030 1 520 52 52 LEU HA H 4.859 0.030 1 521 52 52 LEU HB2 H 1.423 0.030 2 522 52 52 LEU HB3 H 1.670 0.030 2 523 52 52 LEU HG H 1.568 0.030 1 524 52 52 LEU HD1 H 0.882 0.030 1 525 52 52 LEU HD2 H 0.869 0.030 1 526 52 52 LEU C C 175.304 0.300 1 527 52 52 LEU CA C 52.271 0.300 1 528 52 52 LEU CB C 42.736 0.300 1 529 52 52 LEU CG C 26.872 0.300 1 530 52 52 LEU CD1 C 25.021 0.300 2 531 52 52 LEU CD2 C 25.559 0.300 2 532 52 52 LEU N N 121.935 0.300 1 533 53 53 PRO HA H 4.594 0.030 1 534 53 53 PRO HB2 H 2.315 0.030 2 535 53 53 PRO HB3 H 1.971 0.030 2 536 53 53 PRO HG2 H 1.974 0.030 2 537 53 53 PRO HG3 H 1.928 0.030 2 538 53 53 PRO HD2 H 3.657 0.030 2 539 53 53 PRO HD3 H 3.296 0.030 2 540 53 53 PRO C C 178.282 0.300 1 541 53 53 PRO CA C 64.571 0.300 1 542 53 53 PRO CB C 32.190 0.300 1 543 53 53 PRO CG C 27.308 0.300 1 544 53 53 PRO CD C 50.449 0.300 1 545 54 54 GLU H H 8.796 0.030 1 546 54 54 GLU HA H 4.283 0.030 1 547 54 54 GLU HB2 H 2.150 0.030 2 548 54 54 GLU HB3 H 1.956 0.030 2 549 54 54 GLU HG2 H 2.211 0.030 1 550 54 54 GLU HG3 H 2.211 0.030 1 551 54 54 GLU C C 175.854 0.300 1 552 54 54 GLU CA C 56.796 0.300 1 553 54 54 GLU CB C 29.259 0.300 1 554 54 54 GLU CG C 36.569 0.300 1 555 54 54 GLU N N 116.881 0.300 1 556 55 55 ALA H H 7.577 0.030 1 557 55 55 ALA HA H 4.583 0.030 1 558 55 55 ALA HB H 1.344 0.030 1 559 55 55 ALA C C 176.963 0.300 1 560 55 55 ALA CA C 51.219 0.300 1 561 55 55 ALA CB C 20.995 0.300 1 562 55 55 ALA N N 122.695 0.300 1 563 56 56 THR H H 8.535 0.030 1 564 56 56 THR HA H 4.412 0.030 1 565 56 56 THR HB H 4.127 0.030 1 566 56 56 THR HG2 H 1.172 0.030 1 567 56 56 THR C C 174.533 0.300 1 568 56 56 THR CA C 61.752 0.300 1 569 56 56 THR CB C 69.189 0.300 1 570 56 56 THR CG2 C 21.718 0.300 1 571 56 56 THR N N 116.759 0.300 1 572 57 57 THR H H 8.526 0.030 1 573 57 57 THR HA H 4.522 0.030 1 574 57 57 THR HB H 3.968 0.030 1 575 57 57 THR HG2 H 1.401 0.030 1 576 57 57 THR C C 174.652 0.300 1 577 57 57 THR CA C 63.061 0.300 1 578 57 57 THR CB C 69.132 0.300 1 579 57 57 THR CG2 C 23.228 0.300 1 580 57 57 THR N N 123.062 0.300 1 581 58 58 THR H H 8.767 0.030 1 582 58 58 THR HA H 4.525 0.030 1 583 58 58 THR HB H 4.494 0.030 1 584 58 58 THR HG2 H 1.174 0.030 1 585 58 58 THR C C 173.333 0.300 1 586 58 58 THR CA C 61.154 0.300 1 587 58 58 THR CB C 70.029 0.300 1 588 58 58 THR CG2 C 22.011 0.300 1 589 58 58 THR N N 114.969 0.300 1 590 59 59 ALA H H 8.077 0.030 1 591 59 59 ALA HA H 4.914 0.030 1 592 59 59 ALA HB H 1.441 0.030 1 593 59 59 ALA C C 174.536 0.300 1 594 59 59 ALA CA C 51.732 0.300 1 595 59 59 ALA CB C 22.289 0.300 1 596 59 59 ALA N N 121.681 0.300 1 597 60 60 PHE H H 7.812 0.030 1 598 60 60 PHE HA H 5.263 0.030 1 599 60 60 PHE HB2 H 2.989 0.030 2 600 60 60 PHE HB3 H 2.923 0.030 2 601 60 60 PHE HD1 H 6.854 0.030 1 602 60 60 PHE HD2 H 6.854 0.030 1 603 60 60 PHE HE1 H 7.267 0.030 1 604 60 60 PHE HE2 H 7.267 0.030 1 605 60 60 PHE HZ H 7.450 0.030 1 606 60 60 PHE C C 171.930 0.300 1 607 60 60 PHE CA C 56.137 0.300 1 608 60 60 PHE CB C 41.341 0.300 1 609 60 60 PHE CD1 C 132.389 0.300 1 610 60 60 PHE CD2 C 132.389 0.300 1 611 60 60 PHE CE1 C 131.426 0.300 1 612 60 60 PHE CE2 C 131.426 0.300 1 613 60 60 PHE CZ C 129.296 0.300 1 614 60 60 PHE N N 111.442 0.300 1 615 61 61 GLU H H 9.150 0.030 1 616 61 61 GLU HA H 6.089 0.030 1 617 61 61 GLU HB2 H 2.133 0.030 2 618 61 61 GLU HB3 H 1.929 0.030 2 619 61 61 GLU HG2 H 2.298 0.030 2 620 61 61 GLU HG3 H 2.094 0.030 2 621 61 61 GLU C C 175.691 0.300 1 622 61 61 GLU CA C 53.599 0.300 1 623 61 61 GLU CB C 34.815 0.300 1 624 61 61 GLU CG C 36.406 0.300 1 625 61 61 GLU N N 117.746 0.300 1 626 62 62 TYR H H 8.823 0.030 1 627 62 62 TYR HA H 5.519 0.030 1 628 62 62 TYR HB2 H 3.392 0.030 2 629 62 62 TYR HB3 H 3.249 0.030 2 630 62 62 TYR HD1 H 7.074 0.030 1 631 62 62 TYR HD2 H 7.074 0.030 1 632 62 62 TYR HE1 H 6.521 0.030 1 633 62 62 TYR HE2 H 6.521 0.030 1 634 62 62 TYR C C 172.580 0.300 1 635 62 62 TYR CA C 55.905 0.300 1 636 62 62 TYR CB C 41.277 0.300 1 637 62 62 TYR CD1 C 134.139 0.300 1 638 62 62 TYR CD2 C 134.139 0.300 1 639 62 62 TYR CE1 C 117.427 0.300 1 640 62 62 TYR CE2 C 117.427 0.300 1 641 62 62 TYR N N 117.798 0.300 1 642 63 63 GLU H H 9.598 0.030 1 643 63 63 GLU HA H 5.127 0.030 1 644 63 63 GLU HB2 H 2.040 0.030 2 645 63 63 GLU HB3 H 1.919 0.030 2 646 63 63 GLU HG2 H 2.119 0.030 2 647 63 63 GLU HG3 H 2.046 0.030 2 648 63 63 GLU C C 176.039 0.300 1 649 63 63 GLU CA C 54.575 0.300 1 650 63 63 GLU CB C 32.477 0.300 1 651 63 63 GLU CG C 37.841 0.300 1 652 63 63 GLU N N 120.483 0.300 1 653 64 64 ASP H H 8.377 0.030 1 654 64 64 ASP HA H 4.441 0.030 1 655 64 64 ASP HB2 H 3.085 0.030 2 656 64 64 ASP HB3 H 2.309 0.030 2 657 64 64 ASP C C 178.405 0.300 1 658 64 64 ASP CA C 51.900 0.300 1 659 64 64 ASP CB C 40.695 0.300 1 660 64 64 ASP N N 123.533 0.300 1 661 65 65 GLU H H 8.553 0.030 1 662 65 65 GLU HA H 4.181 0.030 1 663 65 65 GLU HB2 H 2.172 0.030 2 664 65 65 GLU HB3 H 2.104 0.030 2 665 65 65 GLU HG2 H 2.350 0.030 1 666 65 65 GLU HG3 H 2.350 0.030 1 667 65 65 GLU C C 177.136 0.300 1 668 65 65 GLU CA C 59.127 0.300 1 669 65 65 GLU CB C 29.716 0.300 1 670 65 65 GLU CG C 36.052 0.300 1 671 65 65 GLU N N 117.704 0.300 1 672 66 66 ASP H H 7.895 0.030 1 673 66 66 ASP HA H 4.835 0.030 1 674 66 66 ASP HB2 H 2.836 0.030 2 675 66 66 ASP HB3 H 2.576 0.030 2 676 66 66 ASP C C 176.415 0.300 1 677 66 66 ASP CA C 54.406 0.300 1 678 66 66 ASP CB C 41.987 0.300 1 679 66 66 ASP N N 118.102 0.300 1 680 67 67 GLY H H 8.188 0.030 1 681 67 67 GLY HA2 H 4.193 0.030 2 682 67 67 GLY HA3 H 3.596 0.030 2 683 67 67 GLY C C 173.932 0.300 1 684 67 67 GLY CA C 45.314 0.300 1 685 67 67 GLY N N 109.070 0.300 1 686 68 68 ASP H H 8.183 0.030 1 687 68 68 ASP HA H 4.562 0.030 1 688 68 68 ASP HB2 H 2.611 0.030 2 689 68 68 ASP HB3 H 2.389 0.030 2 690 68 68 ASP C C 175.417 0.300 1 691 68 68 ASP CA C 54.064 0.300 1 692 68 68 ASP CB C 41.244 0.300 1 693 68 68 ASP N N 122.417 0.300 1 694 69 69 ARG H H 8.119 0.030 1 695 69 69 ARG HA H 4.600 0.030 1 696 69 69 ARG HB2 H 1.701 0.030 2 697 69 69 ARG HB3 H 1.206 0.030 2 698 69 69 ARG HG2 H 1.497 0.030 2 699 69 69 ARG HG3 H 1.315 0.030 2 700 69 69 ARG HD2 H 2.773 0.030 2 701 69 69 ARG HD3 H 2.614 0.030 2 702 69 69 ARG HE H 7.522 0.030 1 703 69 69 ARG C C 176.034 0.300 1 704 69 69 ARG CA C 54.007 0.300 1 705 69 69 ARG CB C 30.680 0.300 1 706 69 69 ARG CG C 27.139 0.300 1 707 69 69 ARG CD C 42.461 0.300 1 708 69 69 ARG N N 118.998 0.300 1 709 69 69 ARG NE N 84.451 0.300 1 710 70 70 ILE H H 8.912 0.030 1 711 70 70 ILE HA H 4.011 0.030 1 712 70 70 ILE HB H 0.663 0.030 1 713 70 70 ILE HG12 H 0.905 0.030 1 714 70 70 ILE HG13 H 0.905 0.030 1 715 70 70 ILE HG2 H 0.741 0.030 1 716 70 70 ILE HD1 H 0.488 0.030 1 717 70 70 ILE C C 175.515 0.300 1 718 70 70 ILE CA C 59.236 0.300 1 719 70 70 ILE CB C 38.175 0.300 1 720 70 70 ILE CG1 C 27.296 0.300 1 721 70 70 ILE CG2 C 17.941 0.300 1 722 70 70 ILE CD1 C 11.259 0.300 1 723 70 70 ILE N N 128.396 0.300 1 724 71 71 THR H H 8.459 0.030 1 725 71 71 THR HA H 4.363 0.030 1 726 71 71 THR HB H 3.831 0.030 1 727 71 71 THR HG2 H 0.974 0.030 1 728 71 71 THR C C 172.933 0.300 1 729 71 71 THR CA C 63.739 0.300 1 730 71 71 THR CB C 69.034 0.300 1 731 71 71 THR CG2 C 22.277 0.300 1 732 71 71 THR N N 121.883 0.300 1 733 72 72 VAL H H 9.181 0.030 1 734 72 72 VAL HA H 3.900 0.030 1 735 72 72 VAL HB H 0.996 0.030 1 736 72 72 VAL HG1 H 0.770 0.030 1 737 72 72 VAL HG2 H 1.141 0.030 1 738 72 72 VAL C C 174.726 0.300 1 739 72 72 VAL CA C 62.236 0.300 1 740 72 72 VAL CB C 32.270 0.300 1 741 72 72 VAL CG1 C 22.045 0.300 2 742 72 72 VAL CG2 C 22.013 0.300 2 743 72 72 VAL N N 128.730 0.300 1 744 73 73 ARG H H 8.367 0.030 1 745 73 73 ARG HA H 4.518 0.030 1 746 73 73 ARG HB2 H 1.825 0.030 2 747 73 73 ARG HB3 H 1.675 0.030 2 748 73 73 ARG HG2 H 1.383 0.030 2 749 73 73 ARG HG3 H 1.574 0.030 2 750 73 73 ARG HD2 H 3.114 0.030 1 751 73 73 ARG HD3 H 3.114 0.030 1 752 73 73 ARG C C 174.649 0.300 1 753 73 73 ARG CA C 55.051 0.300 1 754 73 73 ARG CB C 32.246 0.300 1 755 73 73 ARG CG C 27.631 0.300 1 756 73 73 ARG CD C 43.477 0.300 1 757 73 73 ARG N N 121.688 0.300 1 758 74 74 SER H H 7.012 0.030 1 759 74 74 SER HA H 3.996 0.030 1 760 74 74 SER HB2 H 4.068 0.030 2 761 74 74 SER HB3 H 3.759 0.030 2 762 74 74 SER C C 173.929 0.300 1 763 74 74 SER CA C 56.812 0.300 1 764 74 74 SER CB C 66.802 0.300 1 765 74 74 SER N N 112.245 0.300 1 766 75 75 ASP H H 9.064 0.030 1 767 75 75 ASP HA H 4.609 0.030 1 768 75 75 ASP HB2 H 2.729 0.030 2 769 75 75 ASP HB3 H 2.621 0.030 2 770 75 75 ASP C C 178.279 0.300 1 771 75 75 ASP CA C 58.819 0.300 1 772 75 75 ASP CB C 41.664 0.300 1 773 75 75 ASP N N 120.259 0.300 1 774 76 76 GLU H H 8.759 0.030 1 775 76 76 GLU HA H 4.075 0.030 1 776 76 76 GLU HB2 H 2.060 0.030 2 777 76 76 GLU HB3 H 1.957 0.030 2 778 76 76 GLU HG2 H 2.372 0.030 2 779 76 76 GLU HG3 H 2.314 0.030 2 780 76 76 GLU C C 179.806 0.300 1 781 76 76 GLU CA C 60.419 0.300 1 782 76 76 GLU CB C 29.194 0.300 1 783 76 76 GLU CG C 36.504 0.300 1 784 76 76 GLU N N 121.156 0.300 1 785 77 77 GLU H H 7.497 0.030 1 786 77 77 GLU HA H 4.252 0.030 1 787 77 77 GLU HB2 H 2.313 0.030 2 788 77 77 GLU HB3 H 2.165 0.030 2 789 77 77 GLU HG2 H 2.543 0.030 2 790 77 77 GLU HG3 H 2.205 0.030 2 791 77 77 GLU C C 179.046 0.300 1 792 77 77 GLU CA C 58.876 0.300 1 793 77 77 GLU CB C 30.680 0.300 1 794 77 77 GLU CG C 37.454 0.300 1 795 77 77 GLU N N 118.018 0.300 1 796 78 78 MET H H 8.180 0.030 1 797 78 78 MET HA H 4.247 0.030 1 798 78 78 MET HB2 H 2.547 0.030 2 799 78 78 MET HB3 H 2.391 0.030 2 800 78 78 MET HG2 H 2.856 0.030 2 801 78 78 MET HG3 H 2.779 0.030 2 802 78 78 MET HE H 1.935 0.030 1 803 78 78 MET C C 177.709 0.300 1 804 78 78 MET CA C 57.979 0.300 1 805 78 78 MET CB C 32.233 0.300 1 806 78 78 MET CG C 32.805 0.300 1 807 78 78 MET CE C 17.876 0.300 1 808 78 78 MET N N 122.307 0.300 1 809 79 79 LYS H H 8.096 0.030 1 810 79 79 LYS HA H 4.047 0.030 1 811 79 79 LYS HB2 H 1.997 0.030 1 812 79 79 LYS HB3 H 1.997 0.030 1 813 79 79 LYS HG2 H 1.706 0.030 2 814 79 79 LYS HG3 H 1.566 0.030 2 815 79 79 LYS HD2 H 1.739 0.030 1 816 79 79 LYS HD3 H 1.739 0.030 1 817 79 79 LYS HE2 H 3.003 0.030 1 818 79 79 LYS HE3 H 3.003 0.030 1 819 79 79 LYS C C 179.377 0.300 1 820 79 79 LYS CA C 60.129 0.300 1 821 79 79 LYS CB C 32.101 0.300 1 822 79 79 LYS CG C 25.487 0.300 1 823 79 79 LYS CD C 29.182 0.300 1 824 79 79 LYS CE C 42.293 0.300 1 825 79 79 LYS N N 119.316 0.300 1 826 80 80 ALA H H 7.549 0.030 1 827 80 80 ALA HA H 4.309 0.030 1 828 80 80 ALA HB H 1.612 0.030 1 829 80 80 ALA C C 180.092 0.300 1 830 80 80 ALA CA C 55.038 0.300 1 831 80 80 ALA CB C 18.081 0.300 1 832 80 80 ALA N N 121.457 0.300 1 833 81 81 MET H H 7.629 0.030 1 834 81 81 MET HA H 3.795 0.030 1 835 81 81 MET HB2 H 2.439 0.030 2 836 81 81 MET HB3 H 1.684 0.030 2 837 81 81 MET HG2 H 1.507 0.030 2 838 81 81 MET HG3 H 0.674 0.030 2 839 81 81 MET HE H 1.937 0.030 1 840 81 81 MET C C 177.802 0.300 1 841 81 81 MET CA C 59.132 0.300 1 842 81 81 MET CB C 33.323 0.300 1 843 81 81 MET CG C 30.924 0.300 1 844 81 81 MET CE C 17.389 0.300 1 845 81 81 MET N N 120.722 0.300 1 846 82 82 LEU H H 8.341 0.030 1 847 82 82 LEU HA H 3.930 0.030 1 848 82 82 LEU HB2 H 1.959 0.030 2 849 82 82 LEU HB3 H 1.456 0.030 2 850 82 82 LEU HG H 1.773 0.030 1 851 82 82 LEU HD1 H 0.972 0.030 1 852 82 82 LEU HD2 H 0.682 0.030 1 853 82 82 LEU C C 178.229 0.300 1 854 82 82 LEU CA C 57.993 0.300 1 855 82 82 LEU CB C 41.194 0.300 1 856 82 82 LEU CG C 27.348 0.300 1 857 82 82 LEU CD1 C 26.135 0.300 2 858 82 82 LEU CD2 C 22.719 0.300 2 859 82 82 LEU N N 118.355 0.300 1 860 83 83 SER H H 8.353 0.030 1 861 83 83 SER HA H 4.311 0.030 1 862 83 83 SER HB2 H 4.084 0.030 1 863 83 83 SER HB3 H 4.084 0.030 1 864 83 83 SER C C 177.548 0.300 1 865 83 83 SER CA C 62.202 0.300 1 866 83 83 SER CB C 62.779 0.300 1 867 83 83 SER N N 114.117 0.300 1 868 84 84 TYR H H 7.976 0.030 1 869 84 84 TYR HA H 4.466 0.030 1 870 84 84 TYR HB2 H 3.508 0.030 2 871 84 84 TYR HB3 H 3.291 0.030 2 872 84 84 TYR HD1 H 7.272 0.030 1 873 84 84 TYR HD2 H 7.272 0.030 1 874 84 84 TYR HE1 H 7.052 0.030 1 875 84 84 TYR HE2 H 7.052 0.030 1 876 84 84 TYR C C 177.981 0.300 1 877 84 84 TYR CA C 60.727 0.300 1 878 84 84 TYR CB C 37.723 0.300 1 879 84 84 TYR CD1 C 133.344 0.300 1 880 84 84 TYR CD2 C 133.344 0.300 1 881 84 84 TYR CE1 C 118.553 0.300 1 882 84 84 TYR CE2 C 118.553 0.300 1 883 84 84 TYR N N 122.854 0.300 1 884 85 85 TYR H H 8.820 0.030 1 885 85 85 TYR HA H 3.816 0.030 1 886 85 85 TYR HB2 H 3.035 0.030 2 887 85 85 TYR HB3 H 2.736 0.030 2 888 85 85 TYR HD1 H 6.646 0.030 1 889 85 85 TYR HD2 H 6.646 0.030 1 890 85 85 TYR HE1 H 6.533 0.030 1 891 85 85 TYR HE2 H 6.533 0.030 1 892 85 85 TYR C C 178.109 0.300 1 893 85 85 TYR CA C 61.752 0.300 1 894 85 85 TYR CB C 38.821 0.300 1 895 85 85 TYR CD1 C 132.666 0.300 1 896 85 85 TYR CD2 C 132.666 0.300 1 897 85 85 TYR CE1 C 118.097 0.300 1 898 85 85 TYR CE2 C 118.097 0.300 1 899 85 85 TYR N N 122.850 0.300 1 900 86 86 TYR H H 9.106 0.030 1 901 86 86 TYR HA H 4.040 0.030 1 902 86 86 TYR HB2 H 3.045 0.030 2 903 86 86 TYR HB3 H 3.014 0.030 2 904 86 86 TYR HD1 H 7.120 0.030 1 905 86 86 TYR HD2 H 7.120 0.030 1 906 86 86 TYR HE1 H 6.771 0.030 1 907 86 86 TYR HE2 H 6.771 0.030 1 908 86 86 TYR C C 178.318 0.300 1 909 86 86 TYR CA C 61.410 0.300 1 910 86 86 TYR CB C 36.947 0.300 1 911 86 86 TYR CD1 C 132.726 0.300 1 912 86 86 TYR CD2 C 132.726 0.300 1 913 86 86 TYR CE1 C 117.715 0.300 1 914 86 86 TYR CE2 C 117.715 0.300 1 915 86 86 TYR N N 117.517 0.300 1 916 87 87 SER H H 7.919 0.030 1 917 87 87 SER HA H 4.288 0.030 1 918 87 87 SER HB2 H 4.063 0.030 1 919 87 87 SER HB3 H 4.063 0.030 1 920 87 87 SER C C 176.405 0.300 1 921 87 87 SER CA C 61.979 0.300 1 922 87 87 SER CB C 62.861 0.300 1 923 87 87 SER N N 114.889 0.300 1 924 88 88 THR H H 7.686 0.030 1 925 88 88 THR HA H 4.112 0.030 1 926 88 88 THR HB H 4.083 0.030 1 927 88 88 THR HG2 H 1.046 0.030 1 928 88 88 THR C C 176.214 0.300 1 929 88 88 THR CA C 65.254 0.300 1 930 88 88 THR CB C 69.022 0.300 1 931 88 88 THR CG2 C 21.508 0.300 1 932 88 88 THR N N 117.077 0.300 1 933 89 89 VAL H H 7.759 0.030 1 934 89 89 VAL HA H 3.789 0.030 1 935 89 89 VAL HB H 1.920 0.030 1 936 89 89 VAL HG1 H 0.752 0.030 1 937 89 89 VAL HG2 H 0.506 0.030 1 938 89 89 VAL C C 177.887 0.300 1 939 89 89 VAL CA C 65.112 0.300 1 940 89 89 VAL CB C 31.845 0.300 1 941 89 89 VAL CG1 C 21.264 0.300 1 942 89 89 VAL CG2 C 21.264 0.300 1 943 89 89 VAL N N 120.816 0.300 1 944 90 90 MET H H 7.718 0.030 1 945 90 90 MET HA H 4.172 0.030 1 946 90 90 MET HB2 H 2.118 0.030 1 947 90 90 MET HB3 H 2.118 0.030 1 948 90 90 MET HG2 H 2.546 0.030 2 949 90 90 MET HG3 H 2.476 0.030 2 950 90 90 MET C C 178.158 0.300 1 951 90 90 MET CA C 58.449 0.300 1 952 90 90 MET CB C 32.166 0.300 1 953 90 90 MET CG C 32.236 0.300 1 954 90 90 MET N N 118.649 0.300 1 955 91 91 GLU H H 7.670 0.030 1 956 91 91 GLU HA H 4.071 0.030 1 957 91 91 GLU HB2 H 2.068 0.030 1 958 91 91 GLU HB3 H 2.068 0.030 1 959 91 91 GLU HG2 H 2.312 0.030 2 960 91 91 GLU HG3 H 2.257 0.030 2 961 91 91 GLU C C 178.362 0.300 1 962 91 91 GLU CA C 58.847 0.300 1 963 91 91 GLU CB C 29.631 0.300 1 964 91 91 GLU CG C 36.095 0.300 1 965 91 91 GLU N N 118.436 0.300 1 966 92 92 GLN H H 7.911 0.030 1 967 92 92 GLN HA H 4.123 0.030 1 968 92 92 GLN HB2 H 2.143 0.030 2 969 92 92 GLN HB3 H 1.928 0.030 2 970 92 92 GLN HG2 H 2.498 0.030 2 971 92 92 GLN HG3 H 2.353 0.030 2 972 92 92 GLN HE21 H 7.242 0.030 2 973 92 92 GLN HE22 H 6.577 0.030 2 974 92 92 GLN C C 177.995 0.300 1 975 92 92 GLN CA C 58.306 0.300 1 976 92 92 GLN CB C 28.414 0.300 1 977 92 92 GLN CG C 34.334 0.300 1 978 92 92 GLN N N 118.273 0.300 1 979 92 92 GLN NE2 N 109.681 0.300 1 980 93 93 GLN H H 8.311 0.030 1 981 93 93 GLN HA H 4.177 0.030 1 982 93 93 GLN HB2 H 2.187 0.030 2 983 93 93 GLN HB3 H 2.128 0.030 2 984 93 93 GLN HG2 H 2.461 0.030 2 985 93 93 GLN HG3 H 2.338 0.030 2 986 93 93 GLN HE21 H 7.288 0.030 2 987 93 93 GLN HE22 H 6.785 0.030 2 988 93 93 GLN C C 179.274 0.300 1 989 93 93 GLN CA C 58.443 0.300 1 990 93 93 GLN CB C 28.909 0.300 1 991 93 93 GLN CG C 34.262 0.300 1 992 93 93 GLN N N 119.001 0.300 1 993 93 93 GLN NE2 N 110.799 0.300 1 994 94 94 VAL H H 8.135 0.030 1 995 94 94 VAL HA H 3.913 0.030 1 996 94 94 VAL HB H 2.167 0.030 1 997 94 94 VAL HG1 H 1.039 0.030 1 998 94 94 VAL HG2 H 0.959 0.030 1 999 94 94 VAL C C 177.045 0.300 1 1000 94 94 VAL CA C 64.617 0.300 1 1001 94 94 VAL CB C 32.101 0.300 1 1002 94 94 VAL CG1 C 21.839 0.300 2 1003 94 94 VAL CG2 C 21.153 0.300 2 1004 94 94 VAL N N 120.084 0.300 1 1005 95 95 ASN H H 7.856 0.030 1 1006 95 95 ASN HA H 4.757 0.030 1 1007 95 95 ASN HB2 H 2.944 0.030 2 1008 95 95 ASN HB3 H 2.785 0.030 2 1009 95 95 ASN HD21 H 7.629 0.030 2 1010 95 95 ASN HD22 H 7.004 0.030 2 1011 95 95 ASN C C 175.773 0.300 1 1012 95 95 ASN CA C 53.694 0.300 1 1013 95 95 ASN CB C 39.209 0.300 1 1014 95 95 ASN N N 117.547 0.300 1 1015 95 95 ASN ND2 N 113.777 0.300 1 1016 96 96 GLY H H 8.090 0.030 1 1017 96 96 GLY HA2 H 4.002 0.030 2 1018 96 96 GLY HA3 H 3.884 0.030 2 1019 96 96 GLY C C 174.590 0.300 1 1020 96 96 GLY CA C 46.462 0.300 1 1021 96 96 GLY N N 109.750 0.300 1 1022 97 97 GLN H H 8.117 0.030 1 1023 97 97 GLN HA H 4.368 0.030 1 1024 97 97 GLN HB2 H 2.152 0.030 2 1025 97 97 GLN HB3 H 1.869 0.030 2 1026 97 97 GLN HG2 H 2.316 0.030 1 1027 97 97 GLN HG3 H 2.316 0.030 1 1028 97 97 GLN C C 175.248 0.300 1 1029 97 97 GLN CA C 54.575 0.300 1 1030 97 97 GLN CB C 30.422 0.300 1 1031 97 97 GLN CG C 34.039 0.300 1 1032 97 97 GLN N N 118.945 0.300 1 1033 98 98 LEU H H 8.106 0.030 1 1034 98 98 LEU HA H 4.196 0.030 1 1035 98 98 LEU HB2 H 1.591 0.030 2 1036 98 98 LEU HB3 H 1.498 0.030 2 1037 98 98 LEU HG H 1.606 0.030 1 1038 98 98 LEU HD1 H 0.907 0.030 1 1039 98 98 LEU HD2 H 0.849 0.030 1 1040 98 98 LEU C C 176.794 0.300 1 1041 98 98 LEU CA C 55.345 0.300 1 1042 98 98 LEU CB C 42.052 0.300 1 1043 98 98 LEU CG C 26.974 0.300 1 1044 98 98 LEU CD1 C 24.973 0.300 2 1045 98 98 LEU CD2 C 23.899 0.300 2 1046 98 98 LEU N N 121.733 0.300 1 1047 99 99 ILE H H 8.103 0.030 1 1048 99 99 ILE HA H 4.189 0.030 1 1049 99 99 ILE HB H 1.799 0.030 1 1050 99 99 ILE HG12 H 1.489 0.030 2 1051 99 99 ILE HG13 H 1.228 0.030 2 1052 99 99 ILE HG2 H 0.868 0.030 1 1053 99 99 ILE HD1 H 0.821 0.030 1 1054 99 99 ILE C C 176.777 0.300 1 1055 99 99 ILE CA C 60.261 0.300 1 1056 99 99 ILE CB C 38.304 0.300 1 1057 99 99 ILE CG1 C 27.296 0.300 1 1058 99 99 ILE CG2 C 18.494 0.300 1 1059 99 99 ILE CD1 C 13.281 0.300 1 1060 99 99 ILE N N 122.420 0.300 1 1061 100 100 GLU H H 8.517 0.030 1 1062 100 100 GLU HA H 4.590 0.030 1 1063 100 100 GLU HB2 H 2.163 0.030 2 1064 100 100 GLU HB3 H 1.955 0.030 2 1065 100 100 GLU HG2 H 2.402 0.030 2 1066 100 100 GLU HG3 H 2.278 0.030 2 1067 100 100 GLU C C 176.777 0.300 1 1068 100 100 GLU CA C 54.347 0.300 1 1069 100 100 GLU CB C 29.986 0.300 1 1070 100 100 GLU CG C 35.998 0.300 1 1071 100 100 GLU N N 129.308 0.300 1 1072 101 101 PRO HA H 4.420 0.030 1 1073 101 101 PRO HB2 H 1.905 0.030 2 1074 101 101 PRO HB3 H 1.436 0.030 2 1075 101 101 PRO HG2 H 1.730 0.030 1 1076 101 101 PRO HG3 H 1.730 0.030 1 1077 101 101 PRO HD2 H 3.808 0.030 2 1078 101 101 PRO HD3 H 3.659 0.030 2 1079 101 101 PRO C C 174.840 0.300 1 1080 101 101 PRO CA C 62.775 0.300 1 1081 101 101 PRO CB C 33.794 0.300 1 1082 101 101 PRO CG C 26.787 0.300 1 1083 101 101 PRO CD C 50.983 0.300 1 1084 102 102 LEU H H 7.901 0.030 1 1085 102 102 LEU HA H 4.087 0.030 1 1086 102 102 LEU HB2 H 1.261 0.030 2 1087 102 102 LEU HB3 H -0.145 0.030 2 1088 102 102 LEU HG H 1.183 0.030 1 1089 102 102 LEU HD1 H 0.707 0.030 1 1090 102 102 LEU HD2 H 0.436 0.030 1 1091 102 102 LEU C C 174.844 0.300 1 1092 102 102 LEU CA C 54.861 0.300 1 1093 102 102 LEU CB C 40.889 0.300 1 1094 102 102 LEU CG C 27.223 0.300 1 1095 102 102 LEU CD1 C 22.287 0.300 2 1096 102 102 LEU CD2 C 24.997 0.300 2 1097 102 102 LEU N N 124.902 0.300 1 1098 103 103 GLN H H 8.641 0.030 1 1099 103 103 GLN HA H 5.129 0.030 1 1100 103 103 GLN HB2 H 1.964 0.030 2 1101 103 103 GLN HB3 H 1.900 0.030 2 1102 103 103 GLN HG2 H 2.146 0.030 2 1103 103 103 GLN HG3 H 1.656 0.030 2 1104 103 103 GLN HE21 H 7.608 0.030 2 1105 103 103 GLN HE22 H 6.874 0.030 2 1106 103 103 GLN C C 174.810 0.300 1 1107 103 103 GLN CA C 55.515 0.300 1 1108 103 103 GLN CB C 30.277 0.300 1 1109 103 103 GLN CG C 35.880 0.300 1 1110 103 103 GLN N N 129.420 0.300 1 1111 103 103 GLN NE2 N 110.762 0.300 1 1112 104 104 ILE H H 8.572 0.030 1 1113 104 104 ILE HA H 5.426 0.030 1 1114 104 104 ILE HB H 1.692 0.030 1 1115 104 104 ILE HG12 H 0.992 0.030 2 1116 104 104 ILE HG13 H 0.767 0.030 2 1117 104 104 ILE HG2 H 0.620 0.030 1 1118 104 104 ILE HD1 H 0.063 0.030 1 1119 104 104 ILE C C 174.331 0.300 1 1120 104 104 ILE CA C 58.392 0.300 1 1121 104 104 ILE CB C 42.052 0.300 1 1122 104 104 ILE CG1 C 26.049 0.300 1 1123 104 104 ILE CG2 C 17.605 0.300 1 1124 104 104 ILE CD1 C 13.651 0.300 1 1125 104 104 ILE N N 117.966 0.300 1 1126 105 105 PHE H H 9.292 0.030 1 1127 105 105 PHE HA H 5.271 0.030 1 1128 105 105 PHE HB2 H 3.141 0.030 2 1129 105 105 PHE HB3 H 2.982 0.030 2 1130 105 105 PHE HD1 H 7.238 0.030 1 1131 105 105 PHE HD2 H 7.238 0.030 1 1132 105 105 PHE HE1 H 7.203 0.030 1 1133 105 105 PHE HE2 H 7.203 0.030 1 1134 105 105 PHE HZ H 7.216 0.030 1 1135 105 105 PHE C C 174.331 0.300 1 1136 105 105 PHE CA C 54.038 0.300 1 1137 105 105 PHE CB C 40.253 0.300 1 1138 105 105 PHE CD1 C 132.499 0.300 1 1139 105 105 PHE CD2 C 132.499 0.300 1 1140 105 105 PHE CE1 C 130.800 0.300 1 1141 105 105 PHE CE2 C 130.800 0.300 1 1142 105 105 PHE CZ C 129.906 0.300 1 1143 105 105 PHE N N 119.997 0.300 1 1144 106 106 PRO HA H 4.414 0.030 1 1145 106 106 PRO HB2 H 2.326 0.030 2 1146 106 106 PRO HB3 H 2.050 0.030 2 1147 106 106 PRO HG2 H 2.036 0.030 2 1148 106 106 PRO HG3 H 1.613 0.030 2 1149 106 106 PRO HD2 H 4.088 0.030 2 1150 106 106 PRO HD3 H 3.921 0.030 2 1151 106 106 PRO C C 175.246 0.300 1 1152 106 106 PRO CA C 63.489 0.300 1 1153 106 106 PRO CB C 32.962 0.300 1 1154 106 106 PRO CG C 28.378 0.300 1 1155 106 106 PRO CD C 51.532 0.300 1 1156 107 107 ARG H H 8.504 0.030 1 1157 107 107 ARG HA H 4.757 0.030 1 1158 107 107 ARG HB2 H 1.848 0.030 2 1159 107 107 ARG HB3 H 1.577 0.030 2 1160 107 107 ARG HG2 H 1.583 0.030 1 1161 107 107 ARG HG3 H 1.583 0.030 1 1162 107 107 ARG HD2 H 3.242 0.030 2 1163 107 107 ARG HD3 H 3.060 0.030 2 1164 107 107 ARG C C 175.275 0.300 1 1165 107 107 ARG CA C 55.004 0.300 1 1166 107 107 ARG CB C 31.778 0.300 1 1167 107 107 ARG CG C 26.944 0.300 1 1168 107 107 ARG CD C 43.144 0.300 1 1169 107 107 ARG N N 123.569 0.300 1 1170 108 108 SER H H 8.649 0.030 1 1171 108 108 SER HA H 4.878 0.030 1 1172 108 108 SER HB2 H 3.890 0.030 2 1173 108 108 SER HB3 H 3.804 0.030 2 1174 108 108 SER C C 174.524 0.300 1 1175 108 108 SER CA C 57.882 0.300 1 1176 108 108 SER CB C 64.537 0.300 1 1177 108 108 SER N N 120.014 0.300 1 1178 109 109 GLY H H 8.379 0.030 1 1179 109 109 GLY HA2 H 4.188 0.030 2 1180 109 109 GLY HA3 H 4.140 0.030 2 1181 109 109 GLY C C 174.524 0.300 1 1182 109 109 GLY CA C 44.747 0.300 1 1183 109 109 GLY N N 110.893 0.300 1 1184 110 110 PRO HA H 4.504 0.030 1 1185 110 110 PRO HB2 H 2.298 0.030 2 1186 110 110 PRO HB3 H 1.988 0.030 2 1187 110 110 PRO HG2 H 2.015 0.030 1 1188 110 110 PRO HG3 H 2.015 0.030 1 1189 110 110 PRO HD2 H 3.630 0.030 1 1190 110 110 PRO HD3 H 3.630 0.030 1 1191 110 110 PRO C C 174.524 0.300 1 1192 110 110 PRO CA C 63.138 0.300 1 1193 110 110 PRO CB C 32.320 0.300 1 1194 110 110 PRO CG C 27.119 0.300 1 1195 110 110 PRO CD C 49.830 0.300 1 1196 111 111 SER C C 174.524 0.300 1 1197 112 112 SER C C 174.524 0.300 1 1198 113 113 GLY C C 174.524 0.300 1 stop_ save_