data_6312 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Fasciclin-Like Protein From Rhodobacter sphaeroides ; _BMRB_accession_number 6312 _BMRB_flat_file_name bmr6312.str _Entry_type original _Submission_date 2004-09-03 _Accession_date 2004-09-03 _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 Moody Robert G . 2 Phillips-Jones Mary K . 3 Williamson Mike P . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 697 "13C chemical shifts" 557 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-09-08 update BMRB 'complete entry citation' 2008-07-01 update BMRB 'update entry citation' 2007-06-27 update BMRB 'update entry citation' 2006-10-19 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of the Rhodobacter sphaeroides fasciclin-1 domain protein (Fdp)' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636813 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moody Robert G . 2 Phillips-Jones Mary K . 3 Williamson Mike P . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 1 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11 _Page_last 12 _Year 2007 _Details . loop_ _Keyword Fasciclin 'Cell Adhesion' 'Rhodobacter sphaeroides' stop_ save_ ################################## # Molecular system description # ################################## save_system_flp _Saveframe_category molecular_system _Mol_system_name 'flp monomer' _Abbreviation_common flp _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label flp $flp stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'cell adhesion' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_flp _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common flp _Abbreviation_common flp _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; ETGDIVETATGAGSFTTLLT AAEAAGLVDTLKGDGPFTVF APTDAAFAALPEGTVEDLLK PENKEKLTEILTYHVVPGEV MSSDLTEGMTAETVEGGALT VTLEGGPKVNGVSISQPDVD ASNGVIHVIDGVLMPGA ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 THR 3 GLY 4 ASP 5 ILE 6 VAL 7 GLU 8 THR 9 ALA 10 THR 11 GLY 12 ALA 13 GLY 14 SER 15 PHE 16 THR 17 THR 18 LEU 19 LEU 20 THR 21 ALA 22 ALA 23 GLU 24 ALA 25 ALA 26 GLY 27 LEU 28 VAL 29 ASP 30 THR 31 LEU 32 LYS 33 GLY 34 ASP 35 GLY 36 PRO 37 PHE 38 THR 39 VAL 40 PHE 41 ALA 42 PRO 43 THR 44 ASP 45 ALA 46 ALA 47 PHE 48 ALA 49 ALA 50 LEU 51 PRO 52 GLU 53 GLY 54 THR 55 VAL 56 GLU 57 ASP 58 LEU 59 LEU 60 LYS 61 PRO 62 GLU 63 ASN 64 LYS 65 GLU 66 LYS 67 LEU 68 THR 69 GLU 70 ILE 71 LEU 72 THR 73 TYR 74 HIS 75 VAL 76 VAL 77 PRO 78 GLY 79 GLU 80 VAL 81 MET 82 SER 83 SER 84 ASP 85 LEU 86 THR 87 GLU 88 GLY 89 MET 90 THR 91 ALA 92 GLU 93 THR 94 VAL 95 GLU 96 GLY 97 GLY 98 ALA 99 LEU 100 THR 101 VAL 102 THR 103 LEU 104 GLU 105 GLY 106 GLY 107 PRO 108 LYS 109 VAL 110 ASN 111 GLY 112 VAL 113 SER 114 ILE 115 SER 116 GLN 117 PRO 118 ASP 119 VAL 120 ASP 121 ALA 122 SER 123 ASN 124 GLY 125 VAL 126 ILE 127 HIS 128 VAL 129 ILE 130 ASP 131 GLY 132 VAL 133 LEU 134 MET 135 PRO 136 GLY 137 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1W7D "Nmr Structure Of Fasciclin-like Protein From Rhodobacter Sphaeroides" 100.00 137 100.00 100.00 1.17e-87 PDB 1W7E "Nmr Ensemble Of Fasciclin-like Protein From Rhodobacter Sphaeroides" 100.00 137 100.00 100.00 1.17e-87 GB ABA80588 "Beta-Ig-H3/Fasciclin [Rhodobacter sphaeroides 2.4.1]" 100.00 156 100.00 100.00 9.28e-88 GB ABN75196 "beta-Ig-H3/fasciclin [Rhodobacter sphaeroides ATCC 17029]" 100.00 156 97.81 100.00 4.61e-86 GB ACM02667 "Beta-Ig-H3/fasciclin precursor [Rhodobacter sphaeroides KD131]" 100.00 156 99.27 100.00 2.98e-87 GB EGJ22911 "Beta-Ig-H3/fasciclin precursor [Rhodobacter sphaeroides WS8N]" 100.00 156 99.27 100.00 2.98e-87 GB EKX58484 "Sensory subunit of low CO2-induced protein complex, putative [Rhodobacter sp. AKP1]" 100.00 156 97.08 98.54 8.14e-85 REF WP_002722035 "Beta-Ig-H3/fasciclin precursor [Rhodobacter sphaeroides]" 100.00 156 99.27 100.00 2.98e-87 REF WP_009563440 "Sensory subunit of low CO2-induced protein complex, putative [Rhodobacter sp. AKP1]" 100.00 156 97.08 98.54 8.14e-85 REF WP_011338938 "beta-Ig-H3/fasciclin [Rhodobacter sphaeroides]" 100.00 156 100.00 100.00 9.28e-88 REF WP_011840152 "beta-Ig-H3/fasciclin [Rhodobacter sphaeroides]" 100.00 156 97.81 100.00 4.61e-86 REF YP_001041968 "beta-Ig-H3/fasciclin [Rhodobacter sphaeroides ATCC 17029]" 100.00 156 97.81 100.00 4.61e-86 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _ATCC_number $flp 'Rhodobacter sphaeroides' 1063 Eubacteria . Rhodobacter sphaeroides 'NCIB 8253' 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 $flp 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) pET14b 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 $flp 1.0 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_Standard_2D_and_3D_spectra_for_assignment_and_measurement_of_NOEs_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'Standard 2D and 3D spectra for assignment and measurement of NOEs' _Sample_label . save_ save_HNHA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'Standard 2D and 3D spectra for assignment and measurement of NOEs' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _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 pH 7 0.1 pH temperature 298 1 K 'ionic strength' 0.05 0.02 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 'Standard 2D and 3D spectra for assignment and measurement of NOEs' HNHA stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name flp _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 . 2 THR H H 8.119 0.05 1 2 . 2 THR HA H 4.237 0.05 1 3 . 2 THR HB H 4.121 0.05 1 4 . 2 THR HG2 H 1.108 0.05 1 5 . 2 THR CA C 62.026 0.1 1 6 . 2 THR CB C 69.865 0.1 1 7 . 2 THR CG2 C 21.444 0.1 1 8 . 2 THR N N 115.647 0.1 1 9 . 3 GLY H H 8.119 0.05 1 10 . 3 GLY HA2 H 4.287 0.05 2 11 . 3 GLY HA3 H 3.790 0.05 2 12 . 3 GLY CA C 44.343 0.1 1 13 . 3 GLY N N 111.962 0.1 1 14 . 4 ASP H H 8.713 0.05 1 15 . 4 ASP HA H 4.697 0.05 1 16 . 4 ASP HB2 H 2.524 0.05 2 17 . 4 ASP HB3 H 2.975 0.05 2 18 . 4 ASP CA C 54.654 0.1 1 19 . 4 ASP CB C 41.440 0.1 1 20 . 4 ASP N N 120.806 0.1 1 21 . 5 ILE H H 9.374 0.05 1 22 . 5 ILE HA H 3.209 0.05 1 23 . 5 ILE HB H 1.930 0.05 1 24 . 5 ILE HG12 H 0.866 0.05 2 25 . 5 ILE HG13 H 1.646 0.05 2 26 . 5 ILE HG2 H 1.131 0.05 1 27 . 5 ILE HD1 H 0.808 0.05 1 28 . 5 ILE C C 176.746 0.1 1 29 . 5 ILE CA C 66.022 0.1 1 30 . 5 ILE CB C 38.845 0.1 1 31 . 5 ILE CG1 C 30.580 0.1 1 32 . 5 ILE CG2 C 16.380 0.1 1 33 . 5 ILE CD1 C 14.017 0.1 1 34 . 5 ILE N N 120.534 0.1 1 35 . 6 VAL H H 7.392 0.05 1 36 . 6 VAL HA H 3.257 0.05 1 37 . 6 VAL HB H 2.014 0.05 1 38 . 6 VAL HG1 H 0.814 0.05 2 39 . 6 VAL HG2 H 0.743 0.05 2 40 . 6 VAL C C 179.649 0.1 1 41 . 6 VAL CA C 66.836 0.1 1 42 . 6 VAL CB C 31.630 0.1 1 43 . 6 VAL CG1 C 20.938 0.1 1 44 . 6 VAL CG2 C 23.976 0.1 1 45 . 6 VAL N N 117.980 0.1 1 46 . 7 GLU H H 9.135 0.05 1 47 . 7 GLU HA H 3.877 0.05 1 48 . 7 GLU HB2 H 2.055 0.05 2 49 . 7 GLU HB3 H 1.981 0.05 2 50 . 7 GLU HG2 H 2.175 0.05 2 51 . 7 GLU HG3 H 2.311 0.05 2 52 . 7 GLU C C 180.162 0.1 1 53 . 7 GLU CA C 59.687 0.1 1 54 . 7 GLU CB C 29.721 0.1 1 55 . 7 GLU CG C 36.467 0.1 1 56 . 7 GLU N N 126.425 0.1 1 57 . 8 THR H H 9.251 0.05 1 58 . 8 THR HA H 3.796 0.05 1 59 . 8 THR HB H 3.974 0.05 1 60 . 8 THR HG2 H 1.036 0.05 1 61 . 8 THR C C 176.981 0.1 1 62 . 8 THR CA C 66.954 0.1 1 63 . 8 THR CB C 68.368 0.1 1 64 . 8 THR CG2 C 20.938 0.1 1 65 . 8 THR N N 118.849 0.1 1 66 . 9 ALA H H 8.621 0.05 1 67 . 9 ALA HA H 3.877 0.05 1 68 . 9 ALA HB H 1.282 0.05 1 69 . 9 ALA C C 177.858 0.1 1 70 . 9 ALA CA C 55.002 0.1 1 71 . 9 ALA CB C 17.090 0.1 1 72 . 9 ALA N N 125.285 0.1 1 73 . 10 THR H H 8.544 0.05 1 74 . 10 THR HA H 4.020 0.05 1 75 . 10 THR HB H 3.689 0.05 1 76 . 10 THR C C 176.23 0.1 1 77 . 10 THR CA C 65.428 0.1 1 78 . 10 THR CB C 67.31 0.1 1 79 . 10 THR N N 116.947 0.1 1 80 . 11 GLY H H 8.414 0.05 1 81 . 11 GLY HA2 H 3.796 0.05 2 82 . 11 GLY HA3 H 3.708 0.05 2 83 . 11 GLY C C 174.266 0.1 1 84 . 11 GLY CA C 45.224 0.1 1 85 . 11 GLY N N 109.948 0.1 1 86 . 12 ALA H H 8.065 0.05 1 87 . 12 ALA HA H 3.902 0.05 1 88 . 12 ALA HB H 1.751 0.05 1 89 . 12 ALA C C 174.291 0.1 1 90 . 12 ALA CA C 48.850 0.1 1 91 . 12 ALA CB C 20.47 0.1 1 92 . 12 ALA N N 108.796 0.1 1 93 . 13 GLY H H 7.461 0.05 1 94 . 13 GLY HA2 H 4.217 0.05 2 95 . 13 GLY HA3 H 3.836 0.05 2 96 . 13 GLY C C 174.368 0.1 1 97 . 13 GLY CA C 46.392 0.1 1 98 . 13 GLY N N 115.419 0.1 1 99 . 14 SER H H 6.441 0.05 1 100 . 14 SER HA H 4.592 0.05 1 101 . 14 SER HB2 H 3.620 0.05 2 102 . 14 SER HB3 H 3.186 0.05 2 103 . 14 SER C C 172.295 0.1 1 104 . 14 SER CA C 57.164 0.1 1 105 . 14 SER CB C 63.494 0.1 1 106 . 14 SER N N 111.255 0.1 1 107 . 15 PHE H H 8.852 0.05 1 108 . 15 PHE HA H 5.701 0.05 1 109 . 15 PHE HB2 H 3.500 0.05 2 110 . 15 PHE HB3 H 2.481 0.05 2 111 . 15 PHE HD1 H 7.479 0.05 1 112 . 15 PHE HD2 H 7.479 0.05 1 113 . 15 PHE HE1 H 7.137 0.05 1 114 . 15 PHE HE2 H 7.137 0.05 1 115 . 15 PHE HZ H 7.325 0.05 1 116 . 15 PHE C C 175.687 0.1 1 117 . 15 PHE CA C 57.105 0.1 1 118 . 15 PHE CB C 39.383 0.1 1 119 . 15 PHE CD1 C 132.380 0.1 1 120 . 15 PHE CD2 C 132.380 0.1 1 121 . 15 PHE CE1 C 130.480 0.1 1 122 . 15 PHE CE2 C 130.480 0.1 1 123 . 15 PHE CZ C 129.310 0.1 1 124 . 15 PHE N N 119.892 0.1 1 125 . 16 THR H H 8.210 0.05 1 126 . 16 THR HA H 3.888 0.05 1 127 . 16 THR HB H 4.147 0.05 1 128 . 16 THR HG2 H 1.234 0.05 1 129 . 16 THR C C 178.299 0.1 1 130 . 16 THR CA C 66.544 0.1 1 131 . 16 THR CB C 68.296 0.1 1 132 . 16 THR CG2 C 22.078 0.1 1 133 . 16 THR N N 116.090 0.1 1 134 . 17 THR H H 10.623 0.05 1 135 . 17 THR HA H 3.688 0.05 1 136 . 17 THR HB H 3.563 0.05 1 137 . 17 THR HG2 H 0.174 0.05 1 138 . 17 THR C C 175.243 0.1 1 139 . 17 THR CA C 67.070 0.1 1 140 . 17 THR CB C 68.875 0.1 1 141 . 17 THR CG2 C 21.707 0.1 1 142 . 17 THR N N 126.072 0.1 1 143 . 18 LEU H H 8.560 0.05 1 144 . 18 LEU HA H 3.594 0.05 1 145 . 18 LEU HB2 H 2.145 0.05 2 146 . 18 LEU HB3 H 1.888 0.05 2 147 . 18 LEU HG H 1.441 0.05 1 148 . 18 LEU HD1 H 0.792 0.05 2 149 . 18 LEU HD2 H 0.739 0.05 2 150 . 18 LEU C C 177.885 0.1 1 151 . 18 LEU CA C 58.529 0.1 1 152 . 18 LEU CB C 41.684 0.1 1 153 . 18 LEU CG C 28.389 0.1 1 154 . 18 LEU CD1 C 24.763 0.1 2 155 . 18 LEU CD2 C 24.056 0.1 2 156 . 18 LEU N N 123.095 0.1 1 157 . 19 LEU H H 8.470 0.05 1 158 . 19 LEU HA H 3.902 0.05 1 159 . 19 LEU HB2 H 1.893 0.05 2 160 . 19 LEU HB3 H 1.374 0.05 2 161 . 19 LEU HG H 1.730 0.05 1 162 . 19 LEU HD1 H 0.826 0.05 2 163 . 19 LEU HD2 H 0.706 0.05 2 164 . 19 LEU C C 179.801 0.1 1 165 . 19 LEU CA C 58.120 0.1 1 166 . 19 LEU CB C 40.941 0.1 1 167 . 19 LEU CG C 27.739 0.1 1 168 . 19 LEU CD1 C 22.518 0.1 2 169 . 19 LEU CD2 C 22.051 0.1 2 170 . 19 LEU N N 117.021 0.1 1 171 . 20 THR H H 8.195 0.05 1 172 . 20 THR HA H 3.877 0.05 1 173 . 20 THR HB H 4.227 0.05 1 174 . 20 THR HG2 H 1.144 0.05 1 175 . 20 THR C C 175.608 0.1 1 176 . 20 THR CA C 66.954 0.1 1 177 . 20 THR CB C 68.390 0.1 1 178 . 20 THR CG2 C 20.769 0.1 1 179 . 20 THR N N 120.320 0.1 1 180 . 21 ALA H H 8.328 0.05 1 181 . 21 ALA HA H 3.964 0.05 1 182 . 21 ALA HB H 1.198 0.05 1 183 . 21 ALA C C 175.935 0.1 1 184 . 21 ALA CA C 55.132 0.1 1 185 . 21 ALA CB C 16.993 0.1 1 186 . 21 ALA N N 123.851 0.1 1 187 . 22 ALA H H 9.083 0.05 1 188 . 22 ALA HA H 3.737 0.05 1 189 . 22 ALA HB H 1.168 0.05 1 190 . 22 ALA C C 179.437 0.1 1 191 . 22 ALA CA C 55.034 0.1 1 192 . 22 ALA CB C 16.567 0.1 1 193 . 22 ALA N N 119.938 0.1 1 194 . 23 GLU H H 8.028 0.05 1 195 . 23 GLU HA H 4.080 0.05 1 196 . 23 GLU HB2 H 2.081 0.05 2 197 . 23 GLU HB3 H 2.238 0.05 2 198 . 23 GLU HG2 H 2.177 0.05 2 199 . 23 GLU HG3 H 2.324 0.05 2 200 . 23 GLU C C 179.638 0.1 1 201 . 23 GLU CA C 59.223 0.1 1 202 . 23 GLU CB C 29.202 0.1 1 203 . 23 GLU CG C 35.623 0.1 1 204 . 23 GLU N N 119.775 0.1 1 205 . 24 ALA H H 7.856 0.05 1 206 . 24 ALA HA H 4.088 0.05 1 207 . 24 ALA HB H 1.442 0.05 1 208 . 24 ALA C C 179.486 0.1 1 209 . 24 ALA CA C 55.002 0.1 1 210 . 24 ALA CB C 17.936 0.1 1 211 . 24 ALA N N 124.314 0.1 1 212 . 25 ALA H H 8.071 0.05 1 213 . 25 ALA HA H 4.119 0.05 1 214 . 25 ALA HB H 1.363 0.05 1 215 . 25 ALA C C 176.539 0.1 1 216 . 25 ALA CA C 52.072 0.1 1 217 . 25 ALA CB C 19.896 0.1 1 218 . 25 ALA N N 117.082 0.1 1 219 . 26 GLY H H 7.743 0.05 1 220 . 26 GLY HA2 H 4.071 0.05 1 221 . 26 GLY HA3 H 4.071 0.05 1 222 . 26 GLY C C 176 0.1 1 223 . 26 GLY CA C 46.453 0.1 1 224 . 26 GLY N N 106.757 0.1 1 225 . 27 LEU H H 8.258 0.05 1 226 . 27 LEU HA H 4.435 0.05 1 227 . 27 LEU HB2 H 1.309 0.05 2 228 . 27 LEU HB3 H 1.527 0.05 2 229 . 27 LEU HG H 1.173 0.05 1 230 . 27 LEU HD1 H 0.724 0.05 2 231 . 27 LEU HD2 H 0.804 0.05 2 232 . 27 LEU C C 176.981 0.1 1 233 . 27 LEU CA C 54.294 0.1 1 234 . 27 LEU CB C 45.115 0.1 1 235 . 27 LEU CG C 26.339 0.1 1 236 . 27 LEU CD1 C 23.470 0.1 2 237 . 27 LEU CD2 C 22.457 0.1 2 238 . 27 LEU N N 117.620 0.1 1 239 . 28 VAL H H 7.412 0.05 1 240 . 28 VAL HA H 3.166 0.05 1 241 . 28 VAL HB H 1.956 0.05 1 242 . 28 VAL HG1 H 0.835 0.05 2 243 . 28 VAL HG2 H 0.896 0.05 2 244 . 28 VAL C C 176.538 0.1 1 245 . 28 VAL CA C 68.239 0.1 1 246 . 28 VAL CB C 31.247 0.1 1 247 . 28 VAL CG1 C 23.132 0.1 2 248 . 28 VAL CG2 C 21.444 0.1 2 249 . 28 VAL N N 120.94 0.1 1 250 . 29 ASP H H 8.065 0.05 1 251 . 29 ASP HA H 4.190 0.05 1 252 . 29 ASP HB2 H 2.510 0.05 2 253 . 29 ASP HB3 H 1.996 0.05 2 254 . 29 ASP C C 179.882 0.1 1 255 . 29 ASP CA C 57.811 0.1 1 256 . 29 ASP CB C 39.617 0.1 1 257 . 29 ASP N N 116.168 0.1 1 258 . 30 THR H H 7.545 0.05 1 259 . 30 THR HA H 3.844 0.05 1 260 . 30 THR HB H 4.054 0.05 1 261 . 30 THR HG2 H 1.014 0.05 1 262 . 30 THR C C 176.491 0.1 1 263 . 30 THR CA C 66.713 0.1 1 264 . 30 THR CB C 68.773 0.1 1 265 . 30 THR CG2 C 21.951 0.1 1 266 . 30 THR N N 117.374 0.1 1 267 . 31 LEU H H 7.336 0.05 1 268 . 31 LEU HA H 3.800 0.05 1 269 . 31 LEU HB2 H 1.170 0.05 2 270 . 31 LEU HB3 H 1.518 0.05 2 271 . 31 LEU HG H 1.432 0.05 1 272 . 31 LEU HD1 H 0.395 0.05 2 273 . 31 LEU HD2 H 0.121 0.05 2 274 . 31 LEU C C 175.376 0.1 1 275 . 31 LEU CA C 56.175 0.1 1 276 . 31 LEU CB C 41.651 0.1 1 277 . 31 LEU CG C 26.365 0.1 1 278 . 31 LEU CD1 C 23.976 0.1 2 279 . 31 LEU CD2 C 20.920 0.1 2 280 . 31 LEU N N 118.725 0.1 1 281 . 32 LYS H H 7.263 0.05 1 282 . 32 LYS HA H 4.184 0.05 1 283 . 32 LYS HB2 H 2.050 0.05 2 284 . 32 LYS HB3 H 1.437 0.05 2 285 . 32 LYS HG2 H 1.785 0.05 2 286 . 32 LYS HG3 H 1.464 0.05 2 287 . 32 LYS HD2 H 1.548 0.05 2 288 . 32 LYS HD3 H 1.454 0.05 2 289 . 32 LYS HE2 H 2.974 0.05 2 290 . 32 LYS HE3 H 2.883 0.05 2 291 . 32 LYS C C 177.267 0.1 1 292 . 32 LYS CA C 56.648 0.1 1 293 . 32 LYS CB C 31.950 0.1 1 294 . 32 LYS CG C 25.246 0.1 1 295 . 32 LYS CD C 30.855 0.1 1 296 . 32 LYS CE C 42.162 0.1 1 297 . 32 LYS N N 115.805 0.1 1 298 . 33 GLY H H 7.611 0.05 1 299 . 33 GLY HA2 H 4.015 0.05 2 300 . 33 GLY HA3 H 4.286 0.05 2 301 . 33 GLY C C 172.969 0.1 1 302 . 33 GLY CA C 44.456 0.1 1 303 . 33 GLY N N 106.703 0.1 1 304 . 34 ASP H H 8.386 0.05 1 305 . 34 ASP HA H 4.300 0.05 1 306 . 34 ASP HB2 H 2.562 0.05 2 307 . 34 ASP HB3 H 2.679 0.05 2 308 . 34 ASP C C 177.216 0.1 1 309 . 34 ASP CA C 56.873 0.1 1 310 . 34 ASP CB C 40.945 0.1 1 311 . 34 ASP N N 118.480 0.1 1 312 . 35 GLY H H 8.507 0.05 1 313 . 35 GLY HA2 H 3.120 0.05 2 314 . 35 GLY HA3 H 2.270 0.05 2 315 . 35 GLY C C 172.661 0.1 1 316 . 35 GLY CA C 44.090 0.1 1 317 . 35 GLY N N 105.943 0.1 1 318 . 36 PRO HA H 4.878 0.05 1 319 . 36 PRO HB2 H 2.129 0.05 2 320 . 36 PRO HB3 H 1.500 0.05 2 321 . 36 PRO HG2 H 1.476 0.05 2 322 . 36 PRO HG3 H 1.810 0.05 2 323 . 36 PRO HD2 H 3.325 0.05 2 324 . 36 PRO HD3 H 3.283 0.05 2 325 . 36 PRO C C 176.487 0.1 1 326 . 36 PRO CA C 62.730 0.1 1 327 . 36 PRO CB C 35.229 0.1 1 328 . 36 PRO CG C 25.128 0.1 1 329 . 36 PRO CD C 49.802 0.1 1 330 . 37 PHE H H 8.351 0.05 1 331 . 37 PHE HA H 5.258 0.05 1 332 . 37 PHE HB2 H 2.800 0.05 2 333 . 37 PHE HB3 H 2.440 0.05 2 334 . 37 PHE HD1 H 6.888 0.05 1 335 . 37 PHE HD2 H 6.888 0.05 1 336 . 37 PHE HE1 H 7.148 0.05 1 337 . 37 PHE HE2 H 7.148 0.05 1 338 . 37 PHE HZ H 6.930 0.05 1 339 . 37 PHE C C 174.264 0.1 1 340 . 37 PHE CA C 57.104 0.1 1 341 . 37 PHE CB C 43.696 0.1 1 342 . 37 PHE CD1 C 131.400 0.1 1 343 . 37 PHE CD2 C 131.400 0.1 1 344 . 37 PHE CE1 C 131.250 0.1 1 345 . 37 PHE CE2 C 131.250 0.1 1 346 . 37 PHE CZ C 129.110 0.1 1 347 . 37 PHE N N 117.058 0.1 1 348 . 38 THR H H 9.416 0.05 1 349 . 38 THR HA H 5.040 0.05 1 350 . 38 THR HB H 4.250 0.05 1 351 . 38 THR HG2 H 0.671 0.05 1 352 . 38 THR C C 173.177 0.1 1 353 . 38 THR CA C 61.913 0.1 1 354 . 38 THR CB C 70.025 0.1 1 355 . 38 THR CG2 C 22.782 0.1 1 356 . 38 THR N N 118.340 0.1 1 357 . 39 VAL H H 8.709 0.05 1 358 . 39 VAL HA H 4.592 0.05 1 359 . 39 VAL HB H 1.736 0.05 1 360 . 39 VAL HG1 H 0.817 0.05 2 361 . 39 VAL HG2 H 0.575 0.05 2 362 . 39 VAL C C 173.951 0.1 1 363 . 39 VAL CA C 60.268 0.1 1 364 . 39 VAL CB C 33.419 0.1 1 365 . 39 VAL CG1 C 20.763 0.1 2 366 . 39 VAL CG2 C 20.275 0.1 2 367 . 39 VAL N N 126.442 0.1 1 368 . 40 PHE H H 9.083 0.05 1 369 . 40 PHE HA H 5.300 0.05 1 370 . 40 PHE HB2 H 3.115 0.05 2 371 . 40 PHE HB3 H 2.918 0.05 2 372 . 40 PHE HD1 H 7.034 0.05 1 373 . 40 PHE HD2 H 7.034 0.05 1 374 . 40 PHE HE1 H 6.810 0.05 1 375 . 40 PHE HE2 H 6.810 0.05 1 376 . 40 PHE HZ H 6.613 0.05 1 377 . 40 PHE C C 173.227 0.1 1 378 . 40 PHE CA C 56.992 0.1 1 379 . 40 PHE CB C 38.355 0.1 1 380 . 40 PHE CD1 C 132.480 0.1 1 381 . 40 PHE CD2 C 132.480 0.1 1 382 . 40 PHE CE1 C 130.540 0.1 1 383 . 40 PHE CE2 C 130.540 0.1 1 384 . 40 PHE CZ C 126.910 0.1 1 385 . 40 PHE N N 129.259 0.1 1 386 . 41 ALA H H 8.379 0.05 1 387 . 41 ALA HA H 4.622 0.05 1 388 . 41 ALA HB H 0.732 0.05 1 389 . 41 ALA C C 179.702 0.1 1 390 . 41 ALA CA C 48.786 0.1 1 391 . 41 ALA CB C 22.350 0.1 1 392 . 41 ALA N N 125.540 0.1 1 393 . 42 PRO HA H 5.094 0.05 1 394 . 42 PRO HB2 H 1.953 0.05 2 395 . 42 PRO HB3 H 1.543 0.05 2 396 . 42 PRO HG2 H 1.599 0.05 2 397 . 42 PRO HG3 H 2.115 0.05 2 398 . 42 PRO HD2 H 3.814 0.05 2 399 . 42 PRO HD3 H 3.699 0.05 2 400 . 42 PRO C C 178.093 0.1 1 401 . 42 PRO CA C 60.986 0.1 1 402 . 42 PRO CB C 31.106 0.1 1 403 . 42 PRO CG C 28.871 0.1 1 404 . 42 PRO CD C 51.321 0.1 1 405 . 43 THR H H 7.287 0.05 1 406 . 43 THR HA H 5.090 0.05 1 407 . 43 THR HB H 4.278 0.05 1 408 . 43 THR HG2 H 1.297 0.05 1 409 . 43 THR C C 175.921 0.1 1 410 . 43 THR CA C 61.016 0.1 1 411 . 43 THR CB C 71.609 0.1 1 412 . 43 THR CG2 C 22.626 0.1 1 413 . 43 THR N N 112.399 0.1 1 414 . 44 ASP H H 8.581 0.05 1 415 . 44 ASP HA H 4.420 0.05 1 416 . 44 ASP HB2 H 2.521 0.05 2 417 . 44 ASP HB3 H 2.678 0.05 2 418 . 44 ASP C C 179.742 0.1 1 419 . 44 ASP CA C 58.388 0.1 1 420 . 44 ASP CB C 39.056 0.1 1 421 . 44 ASP N N 121.200 0.1 1 422 . 45 ALA H H 8.410 0.05 1 423 . 45 ALA HA H 4.100 0.05 1 424 . 45 ALA HB H 1.359 0.05 1 425 . 45 ALA C C 177.969 0.1 1 426 . 45 ALA CA C 55.112 0.1 1 427 . 45 ALA CB C 17.846 0.1 1 428 . 45 ALA N N 124.371 0.1 1 429 . 46 ALA H H 7.877 0.05 1 430 . 46 ALA HA H 4.121 0.05 1 431 . 46 ALA HB H 1.328 0.05 1 432 . 46 ALA C C 174.727 0.1 1 433 . 46 ALA CA C 55.172 0.1 1 434 . 46 ALA CB C 18.116 0.1 1 435 . 46 ALA N N 123.666 0.1 1 436 . 47 PHE H H 7.927 0.05 1 437 . 47 PHE HA H 4.051 0.05 1 438 . 47 PHE HB2 H 3.059 0.05 2 439 . 47 PHE HB3 H 2.890 0.05 2 440 . 47 PHE HD1 H 7.280 0.05 1 441 . 47 PHE HD2 H 7.280 0.05 1 442 . 47 PHE HE1 H 6.970 0.05 1 443 . 47 PHE HE2 H 6.970 0.05 1 444 . 47 PHE HZ H 6.670 0.05 1 445 . 47 PHE C C 178.742 0.1 1 446 . 47 PHE CA C 62.386 0.1 1 447 . 47 PHE CB C 40.044 0.1 1 448 . 47 PHE CD1 C 131.600 0.1 1 449 . 47 PHE CD2 C 131.600 0.1 1 450 . 47 PHE CE1 C 130.030 0.1 1 451 . 47 PHE CE2 C 130.030 0.1 1 452 . 47 PHE CZ C 127.240 0.1 1 453 . 47 PHE N N 116.086 0.1 1 454 . 48 ALA H H 8.254 0.05 1 455 . 48 ALA HA H 4.278 0.05 1 456 . 48 ALA HB H 1.488 0.05 1 457 . 48 ALA C C 177.06 0.1 1 458 . 48 ALA CA C 53.939 0.1 1 459 . 48 ALA CB C 18.259 0.1 1 460 . 48 ALA N N 121.643 0.1 1 461 . 49 ALA H H 7.144 0.05 1 462 . 49 ALA HA H 4.404 0.05 1 463 . 49 ALA HB H 1.485 0.05 1 464 . 49 ALA C C 178.692 0.1 1 465 . 49 ALA CA C 52.068 0.1 1 466 . 49 ALA CB C 18.855 0.1 1 467 . 49 ALA N N 118.062 0.1 1 468 . 50 LEU H H 7.176 0.05 1 469 . 50 LEU HA H 4.497 0.05 1 470 . 50 LEU HB2 H 1.373 0.05 2 471 . 50 LEU HB3 H 1.984 0.05 2 472 . 50 LEU HG H 1.498 0.05 1 473 . 50 LEU HD1 H 0.894 0.05 2 474 . 50 LEU HD2 H 1.008 0.05 2 475 . 50 LEU C C 174.422 0.1 1 476 . 50 LEU CA C 53.951 0.1 1 477 . 50 LEU CB C 39.961 0.1 1 478 . 50 LEU CG C 25.716 0.1 1 479 . 50 LEU CD1 C 26.308 0.1 2 480 . 50 LEU CD2 C 25.948 0.1 2 481 . 50 LEU N N 119.09 0.1 1 482 . 51 PRO HA H 4.387 0.05 1 483 . 51 PRO HB2 H 2.384 0.05 2 484 . 51 PRO HB3 H 1.669 0.05 2 485 . 51 PRO HG2 H 2.116 0.05 2 486 . 51 PRO HG3 H 2.023 0.05 2 487 . 51 PRO HD2 H 3.513 0.05 2 488 . 51 PRO HD3 H 3.925 0.05 2 489 . 51 PRO C C 177.472 0.1 1 490 . 51 PRO CA C 63.430 0.1 1 491 . 51 PRO CB C 31.718 0.1 1 492 . 51 PRO CG C 27.690 0.1 1 493 . 51 PRO CD C 50.162 0.1 1 494 . 52 GLU H H 8.965 0.05 1 495 . 52 GLU HA H 4.106 0.05 1 496 . 52 GLU HB2 H 2.032 0.05 2 497 . 52 GLU HB3 H 1.938 0.05 2 498 . 52 GLU HG2 H 2.316 0.05 2 499 . 52 GLU HG3 H 2.269 0.05 2 500 . 52 GLU CA C 58.520 0.1 1 501 . 52 GLU CB C 29.581 0.1 1 502 . 52 GLU CG C 35.960 0.1 1 503 . 52 GLU N N 126.755 0.1 1 504 . 53 GLY H H 8.795 0.05 1 505 . 53 GLY HA2 H 4.325 0.05 2 506 . 53 GLY HA3 H 3.791 0.05 2 507 . 53 GLY C C 175.274 0.1 1 508 . 53 GLY CA C 45.566 0.1 1 509 . 53 GLY N N 114.590 0.1 1 510 . 54 THR H H 8.047 0.05 1 511 . 54 THR HA H 3.906 0.05 1 512 . 54 THR HB H 4.125 0.05 1 513 . 54 THR HG2 H 1.237 0.05 1 514 . 54 THR C C 176.222 0.1 1 515 . 54 THR CA C 67.715 0.1 1 516 . 54 THR CB C 68.410 0.1 1 517 . 54 THR CG2 C 21.107 0.1 1 518 . 54 THR N N 118.208 0.1 1 519 . 55 VAL H H 8.894 0.05 1 520 . 55 VAL HA H 3.339 0.05 1 521 . 55 VAL HB H 1.987 0.05 1 522 . 55 VAL HG1 H 0.671 0.05 2 523 . 55 VAL HG2 H 1.014 0.05 2 524 . 55 VAL C C 176.517 0.1 1 525 . 55 VAL CA C 67.664 0.1 1 526 . 55 VAL CB C 31.105 0.1 1 527 . 55 VAL CG1 C 20.600 0.1 2 528 . 55 VAL CG2 C 24.651 0.1 2 529 . 55 VAL N N 122.325 0.1 1 530 . 56 GLU H H 8.672 0.05 1 531 . 56 GLU HA H 3.702 0.05 1 532 . 56 GLU HB2 H 1.969 0.05 2 533 . 56 GLU HB3 H 1.830 0.05 2 534 . 56 GLU HG2 H 2.184 0.05 2 535 . 56 GLU HG3 H 2.326 0.05 2 536 . 56 GLU C C 179.594 0.1 1 537 . 56 GLU CA C 60.515 0.1 1 538 . 56 GLU CB C 28.712 0.1 1 539 . 56 GLU CG C 36.973 0.1 1 540 . 56 GLU N N 118.181 0.1 1 541 . 57 ASP H H 7.782 0.05 1 542 . 57 ASP HA H 4.372 0.05 1 543 . 57 ASP HB2 H 2.600 0.05 2 544 . 57 ASP HB3 H 2.803 0.05 2 545 . 57 ASP C C 179.697 0.1 1 546 . 57 ASP CA C 57.464 0.1 1 547 . 57 ASP CB C 41.155 0.1 1 548 . 57 ASP N N 117.688 0.1 1 549 . 58 LEU H H 8.004 0.05 1 550 . 58 LEU HA H 3.996 0.05 1 551 . 58 LEU HB2 H 1.530 0.05 2 552 . 58 LEU HB3 H 1.445 0.05 2 553 . 58 LEU HG H 1.398 0.05 1 554 . 58 LEU HD1 H 0.855 0.05 2 555 . 58 LEU HD2 H 0.798 0.05 2 556 . 58 LEU C C 175.972 0.1 1 557 . 58 LEU CA C 57.346 0.1 1 558 . 58 LEU CB C 42.298 0.1 1 559 . 58 LEU CG C 26.846 0.1 1 560 . 58 LEU CD1 C 24.989 0.1 2 561 . 58 LEU CD2 C 23.638 0.1 2 562 . 58 LEU N N 121.041 0.1 1 563 . 59 LEU H H 7.273 0.05 1 564 . 59 LEU HA H 4.090 0.05 1 565 . 59 LEU HB2 H 1.540 0.05 2 566 . 59 LEU HB3 H 1.611 0.05 2 567 . 59 LEU HG H 1.780 0.05 1 568 . 59 LEU HD1 H 0.669 0.05 2 569 . 59 LEU HD2 H 0.543 0.05 2 570 . 59 LEU C C 177.681 0.1 1 571 . 59 LEU CA C 54.706 0.1 1 572 . 59 LEU CB C 41.392 0.1 1 573 . 59 LEU CG C 25.495 0.1 1 574 . 59 LEU CD1 C 22.626 0.1 2 575 . 59 LEU CD2 C 22.288 0.1 2 576 . 59 LEU N N 113.548 0.1 1 577 . 60 LYS H H 7.465 0.05 1 578 . 60 LYS HA H 4.421 0.05 1 579 . 60 LYS HB2 H 2.069 0.05 2 580 . 60 LYS HB3 H 1.742 0.05 2 581 . 60 LYS HG2 H 2.000 0.05 2 582 . 60 LYS HG3 H 1.464 0.05 2 583 . 60 LYS HD2 H 1.740 0.05 1 584 . 60 LYS HD3 H 1.740 0.05 1 585 . 60 LYS HE2 H 2.982 0.05 2 586 . 60 LYS HE3 H 2.885 0.05 2 587 . 60 LYS CA C 55.593 0.1 1 588 . 60 LYS CB C 31.646 0.1 1 589 . 60 LYS CG C 25.765 0.1 1 590 . 60 LYS CD C 29.863 0.1 1 591 . 60 LYS CE C 42.355 0.1 1 592 . 60 LYS N N 122.657 0.1 1 593 . 61 PRO HA H 4.239 0.05 1 594 . 61 PRO HB2 H 1.995 0.05 2 595 . 61 PRO HB3 H 2.417 0.05 2 596 . 61 PRO HG2 H 2.191 0.05 2 597 . 61 PRO HG3 H 2.105 0.05 2 598 . 61 PRO HD2 H 3.965 0.05 2 599 . 61 PRO HD3 H 3.836 0.05 2 600 . 61 PRO C C 178.815 0.1 1 601 . 61 PRO CA C 66.009 0.1 1 602 . 61 PRO CB C 31.698 0.1 1 603 . 61 PRO CG C 27.352 0.1 1 604 . 61 PRO CD C 50.646 0.1 1 605 . 62 GLU H H 9.820 0.05 1 606 . 62 GLU HA H 4.247 0.05 1 607 . 62 GLU HB2 H 2.020 0.05 1 608 . 62 GLU HB3 H 2.020 0.05 1 609 . 62 GLU HG2 H 2.081 0.05 2 610 . 62 GLU HG3 H 2.224 0.05 2 611 . 62 GLU C C 176.931 0.1 1 612 . 62 GLU CA C 58.522 0.1 1 613 . 62 GLU CB C 28.220 0.1 1 614 . 62 GLU CG C 35.623 0.1 1 615 . 62 GLU N N 116.754 0.1 1 616 . 63 ASN H H 8.022 0.05 1 617 . 63 ASN HA H 5.396 0.05 1 618 . 63 ASN HB2 H 2.764 0.05 2 619 . 63 ASN HB3 H 3.130 0.05 2 620 . 63 ASN HD21 H 6.892 0.05 2 621 . 63 ASN HD22 H 7.867 0.05 2 622 . 63 ASN C C 174.728 0.1 1 623 . 63 ASN CA C 52.536 0.1 1 624 . 63 ASN CB C 39.095 0.1 1 625 . 63 ASN N N 118.062 0.1 1 626 . 63 ASN ND2 N 115.35 0.1 1 627 . 64 LYS H H 7.318 0.05 1 628 . 64 LYS HA H 4.215 0.05 1 629 . 64 LYS HB2 H 1.782 0.05 2 630 . 64 LYS HB3 H 2.047 0.05 2 631 . 64 LYS HG2 H 1.423 0.05 2 632 . 64 LYS HG3 H 1.250 0.05 2 633 . 64 LYS HD2 H 1.708 0.05 2 634 . 64 LYS HD3 H 1.766 0.05 2 635 . 64 LYS HE2 H 3.057 0.05 2 636 . 64 LYS HE3 H 2.945 0.05 2 637 . 64 LYS C C 179.229 0.1 1 638 . 64 LYS CA C 60.748 0.1 1 639 . 64 LYS CB C 32.880 0.1 1 640 . 64 LYS CG C 25.158 0.1 1 641 . 64 LYS CD C 29.546 0.1 1 642 . 64 LYS CE C 40.195 0.1 1 643 . 64 LYS N N 121.866 0.1 1 644 . 65 GLU H H 9.025 0.05 1 645 . 65 GLU HA H 4.090 0.05 1 646 . 65 GLU HB2 H 2.063 0.05 2 647 . 65 GLU HB3 H 2.086 0.05 2 648 . 65 GLU HG2 H 2.195 0.05 2 649 . 65 GLU HG3 H 2.324 0.05 2 650 . 65 GLU C C 178.714 0.1 1 651 . 65 GLU CA C 60.452 0.1 1 652 . 65 GLU CB C 28.723 0.1 1 653 . 65 GLU CG C 36.804 0.1 1 654 . 65 GLU N N 120.827 0.1 1 655 . 66 LYS H H 7.613 0.05 1 656 . 66 LYS HA H 4.153 0.05 1 657 . 66 LYS HB2 H 1.892 0.05 2 658 . 66 LYS HB3 H 1.804 0.05 2 659 . 66 LYS HG2 H 1.477 0.05 2 660 . 66 LYS HG3 H 1.409 0.05 2 661 . 66 LYS HD2 H 1.689 0.05 2 662 . 66 LYS HD3 H 1.660 0.05 2 663 . 66 LYS HE2 H 2.885 0.05 1 664 . 66 LYS HE3 H 2.886 0.05 1 665 . 66 LYS C C 176.513 0.1 1 666 . 66 LYS CA C 58.544 0.1 1 667 . 66 LYS CB C 32.011 0.1 1 668 . 66 LYS CG C 24.482 0.1 1 669 . 66 LYS CD C 28.702 0.1 1 670 . 66 LYS CE C 41.831 0.1 1 671 . 66 LYS N N 122.043 0.1 1 672 . 67 LEU H H 8.439 0.05 1 673 . 67 LEU HA H 4.051 0.05 1 674 . 67 LEU HB2 H 2.024 0.05 2 675 . 67 LEU HB3 H 1.952 0.05 2 676 . 67 LEU HG H 1.422 0.05 1 677 . 67 LEU HD1 H 0.879 0.05 2 678 . 67 LEU HD2 H 0.778 0.05 2 679 . 67 LEU C C 178.329 0.1 1 680 . 67 LEU CA C 58.337 0.1 1 681 . 67 LEU CB C 40.419 0.1 1 682 . 67 LEU CG C 26.002 0.1 1 683 . 67 LEU CD1 C 22.288 0.1 2 684 . 67 LEU CD2 C 21.782 0.1 2 685 . 67 LEU N N 119.419 0.1 1 686 . 68 THR H H 8.496 0.05 1 687 . 68 THR HA H 4.435 0.05 1 688 . 68 THR HB H 3.635 0.05 1 689 . 68 THR HG2 H 1.265 0.05 1 690 . 68 THR C C 176.903 0.1 1 691 . 68 THR CA C 68.355 0.1 1 692 . 68 THR CB C 66.681 0.1 1 693 . 68 THR CG2 C 21.319 0.1 1 694 . 68 THR N N 115.413 0.1 1 695 . 69 GLU H H 8.099 0.05 1 696 . 69 GLU HA H 3.855 0.05 1 697 . 69 GLU HB2 H 2.178 0.05 2 698 . 69 GLU HB3 H 2.300 0.05 2 699 . 69 GLU HG2 H 2.441 0.05 2 700 . 69 GLU HG3 H 2.158 0.05 2 701 . 69 GLU C C 176.206 0.1 1 702 . 69 GLU CA C 60.041 0.1 1 703 . 69 GLU CB C 30.054 0.1 1 704 . 69 GLU CG C 36.298 0.1 1 705 . 69 GLU N N 125.200 0.1 1 706 . 70 ILE H H 7.830 0.05 1 707 . 70 ILE HA H 3.659 0.05 1 708 . 70 ILE HB H 1.977 0.05 1 709 . 70 ILE HG12 H 1.178 0.05 2 710 . 70 ILE HG13 H 1.126 0.05 2 711 . 70 ILE HG2 H 1.138 0.05 1 712 . 70 ILE HD1 H 0.901 0.05 1 713 . 70 ILE C C 179.364 0.1 1 714 . 70 ILE CA C 65.902 0.1 1 715 . 70 ILE CB C 39.104 0.1 1 716 . 70 ILE CG1 C 29.888 0.1 1 717 . 70 ILE CG2 C 16.402 0.1 1 718 . 70 ILE CD1 C 15.473 0.1 1 719 . 70 ILE N N 116.21 0.1 1 720 . 71 LEU H H 8.868 0.05 1 721 . 71 LEU HA H 4.121 0.05 1 722 . 71 LEU HB2 H 1.151 0.05 2 723 . 71 LEU HB3 H 1.859 0.05 2 724 . 71 LEU HG H 1.693 0.05 1 725 . 71 LEU HD1 H 0.889 0.05 2 726 . 71 LEU HD2 H 0.649 0.05 2 727 . 71 LEU C C 180.214 0.1 1 728 . 71 LEU CA C 58.755 0.1 1 729 . 71 LEU CB C 42.474 0.1 1 730 . 71 LEU CG C 27.014 0.1 1 731 . 71 LEU CD1 C 23.301 0.1 2 732 . 71 LEU CD2 C 21.120 0.1 2 733 . 71 LEU N N 117.747 0.1 1 734 . 72 THR H H 8.571 0.05 1 735 . 72 THR HA H 4.023 0.05 1 736 . 72 THR HB H 4.288 0.05 1 737 . 72 THR HG2 H 1.342 0.05 1 738 . 72 THR C C 176.103 0.1 1 739 . 72 THR CA C 65.428 0.1 1 740 . 72 THR CB C 69.328 0.1 1 741 . 72 THR CG2 C 23.301 0.1 1 742 . 72 THR N N 105.737 0.1 1 743 . 73 TYR H H 7.628 0.05 1 744 . 73 TYR HA H 4.060 0.05 1 745 . 73 TYR HB2 H 3.200 0.05 2 746 . 73 TYR HB3 H 3.115 0.05 2 747 . 73 TYR HD1 H 6.862 0.05 1 748 . 73 TYR HD2 H 6.862 0.05 1 749 . 73 TYR HE1 H 6.180 0.05 1 750 . 73 TYR HE2 H 6.180 0.05 1 751 . 73 TYR C C 171.258 0.1 1 752 . 73 TYR CA C 57.642 0.1 1 753 . 73 TYR CB C 39.042 0.1 1 754 . 73 TYR CD1 C 133.186 0.1 1 755 . 73 TYR CD2 C 133.186 0.1 1 756 . 73 TYR CE1 C 117.090 0.1 1 757 . 73 TYR CE2 C 117.090 0.1 1 758 . 73 TYR N N 124.980 0.1 1 759 . 74 HIS H H 7.594 0.05 1 760 . 74 HIS HA H 4.450 0.05 1 761 . 74 HIS HB2 H 3.100 0.05 1 762 . 74 HIS HB3 H 3.130 0.05 1 763 . 74 HIS C C 174.342 0.1 1 764 . 74 HIS CA C 57.584 0.1 1 765 . 74 HIS CB C 27.829 0.1 1 766 . 74 HIS N N 108.862 0.1 1 767 . 74 HIS ND1 N 118.165 0.1 1 768 . 75 VAL H H 7.240 0.05 1 769 . 75 VAL HA H 5.075 0.05 1 770 . 75 VAL HB H 2.019 0.05 1 771 . 75 VAL HG1 H 0.660 0.05 2 772 . 75 VAL HG2 H 0.889 0.05 2 773 . 75 VAL C C 173.875 0.1 1 774 . 75 VAL CA C 61.559 0.1 1 775 . 75 VAL CB C 33.853 0.1 1 776 . 75 VAL CG1 C 22.756 0.1 2 777 . 75 VAL CG2 C 21.782 0.1 2 778 . 75 VAL N N 117.401 0.1 1 779 . 76 VAL H H 9.672 0.05 1 780 . 76 VAL HA H 4.039 0.05 1 781 . 76 VAL HB H 2.087 0.05 1 782 . 76 VAL HG1 H 0.973 0.05 2 783 . 76 VAL HG2 H 0.894 0.05 2 784 . 76 VAL CA C 58.289 0.1 1 785 . 76 VAL CB C 36.293 0.1 1 786 . 76 VAL CG1 C 19.700 0.1 2 787 . 76 VAL CG2 C 22.700 0.1 2 788 . 76 VAL N N 129.57 0.1 1 789 . 77 PRO HA H 4.565 0.05 1 790 . 77 PRO HB2 H 2.261 0.05 2 791 . 77 PRO HB3 H 1.969 0.05 2 792 . 77 PRO HG2 H 2.177 0.05 2 793 . 77 PRO HG3 H 1.916 0.05 2 794 . 77 PRO HD2 H 4.052 0.05 2 795 . 77 PRO HD3 H 3.813 0.05 2 796 . 77 PRO C C 176.119 0.1 1 797 . 77 PRO CA C 63.562 0.1 1 798 . 77 PRO CB C 31.695 0.1 1 799 . 77 PRO CG C 27.091 0.1 1 800 . 77 PRO CD C 50.983 0.1 1 801 . 78 GLY H H 7.863 0.05 1 802 . 78 GLY HA2 H 4.238 0.05 2 803 . 78 GLY HA3 H 3.333 0.05 2 804 . 78 GLY C C 171.624 0.1 1 805 . 78 GLY CA C 43.522 0.1 1 806 . 78 GLY N N 111.414 0.1 1 807 . 79 GLU H H 8.402 0.05 1 808 . 79 GLU HA H 4.007 0.05 1 809 . 79 GLU HB2 H 1.862 0.05 2 810 . 79 GLU HB3 H 1.516 0.05 2 811 . 79 GLU HG2 H 1.879 0.05 2 812 . 79 GLU HG3 H 1.798 0.05 2 813 . 79 GLU C C 173.926 0.1 1 814 . 79 GLU CA C 55.354 0.1 1 815 . 79 GLU CB C 31.419 0.1 1 816 . 79 GLU CG C 37.480 0.1 1 817 . 79 GLU N N 120.368 0.1 1 818 . 80 VAL H H 8.283 0.05 1 819 . 80 VAL HA H 4.059 0.05 1 820 . 80 VAL HB H 2.050 0.05 1 821 . 80 VAL HG1 H 0.576 0.05 2 822 . 80 VAL HG2 H 0.763 0.05 2 823 . 80 VAL C C 174.468 0.1 1 824 . 80 VAL CA C 61.680 0.1 1 825 . 80 VAL CB C 32.650 0.1 1 826 . 80 VAL CG1 C 20.263 0.1 2 827 . 80 VAL CG2 C 21.782 0.1 2 828 . 80 VAL N N 129.343 0.1 1 829 . 81 MET H H 8.959 0.05 1 830 . 81 MET HA H 4.881 0.05 1 831 . 81 MET HB2 H 2.602 0.05 2 832 . 81 MET HB3 H 2.368 0.05 2 833 . 81 MET HG2 H 1.872 0.05 2 834 . 81 MET HG3 H 2.295 0.05 2 835 . 81 MET HE H 0.628 0.05 1 836 . 81 MET C C 179.291 0.1 1 837 . 81 MET CA C 53.354 0.1 1 838 . 81 MET CB C 32.180 0.1 1 839 . 81 MET CG C 31.741 0.1 1 840 . 81 MET CE C 22.481 0.1 1 841 . 81 MET N N 123.914 0.1 1 842 . 82 SER H H 11.492 0.05 1 843 . 82 SER HA H 5.797 0.05 1 844 . 82 SER HB2 H 3.895 0.05 2 845 . 82 SER HB3 H 3.685 0.05 2 846 . 82 SER C C 177.832 0.1 1 847 . 82 SER CA C 60.034 0.1 1 848 . 82 SER CB C 60.782 0.1 1 849 . 82 SER N N 120.730 0.1 1 850 . 83 SER H H 7.999 0.05 1 851 . 83 SER HA H 4.184 0.05 1 852 . 83 SER HB2 H 3.933 0.05 2 853 . 83 SER HB3 H 3.807 0.05 2 854 . 83 SER C C 174.885 0.1 1 855 . 83 SER CA C 59.974 0.1 1 856 . 83 SER CB C 62.552 0.1 1 857 . 83 SER N N 115.413 0.1 1 858 . 84 ASP H H 7.872 0.05 1 859 . 84 ASP HA H 4.638 0.05 1 860 . 84 ASP HB2 H 2.818 0.05 2 861 . 84 ASP HB3 H 2.881 0.05 2 862 . 84 ASP C C 175.812 0.1 1 863 . 84 ASP CA C 55.053 0.1 1 864 . 84 ASP CB C 42.467 0.1 1 865 . 84 ASP N N 120.335 0.1 1 866 . 85 LEU H H 7.115 0.05 1 867 . 85 LEU HA H 4.372 0.05 1 868 . 85 LEU HB2 H 1.916 0.05 2 869 . 85 LEU HB3 H 1.156 0.05 2 870 . 85 LEU HG H 1.933 0.05 1 871 . 85 LEU HD1 H 0.638 0.05 2 872 . 85 LEU HD2 H 0.481 0.05 2 873 . 85 LEU C C 176.18 0.1 1 874 . 85 LEU CA C 55.176 0.1 1 875 . 85 LEU CB C 41.095 0.1 1 876 . 85 LEU CG C 27.014 0.1 1 877 . 85 LEU CD1 C 21.670 0.1 2 878 . 85 LEU CD2 C 24.289 0.1 2 879 . 85 LEU N N 117.617 0.1 1 880 . 86 THR H H 6.909 0.05 1 881 . 86 THR HA H 4.472 0.05 1 882 . 86 THR HB H 4.189 0.05 1 883 . 86 THR HG2 H 1.121 0.05 1 884 . 86 THR C C 173.36 0.1 1 885 . 86 THR CA C 59.565 0.1 1 886 . 86 THR CB C 71.559 0.1 1 887 . 86 THR CG2 C 21.782 0.1 1 888 . 86 THR N N 111.650 0.1 1 889 . 87 GLU H H 8.535 0.05 1 890 . 87 GLU HA H 3.715 0.05 1 891 . 87 GLU HB2 H 2.079 0.05 2 892 . 87 GLU HB3 H 1.914 0.05 2 893 . 87 GLU HG2 H 2.406 0.05 2 894 . 87 GLU HG3 H 1.927 0.05 2 895 . 87 GLU C C 177.68 0.1 1 896 . 87 GLU CA C 58.161 0.1 1 897 . 87 GLU CB C 30.052 0.1 1 898 . 87 GLU CG C 35.792 0.1 1 899 . 87 GLU N N 121.317 0.1 1 900 . 88 GLY H H 8.810 0.05 1 901 . 88 GLY HA2 H 4.153 0.05 2 902 . 88 GLY HA3 H 3.644 0.05 2 903 . 88 GLY C C 174.011 0.1 1 904 . 88 GLY CA C 45.853 0.1 1 905 . 88 GLY N N 119.722 0.1 1 906 . 89 MET H H 8.222 0.05 1 907 . 89 MET HA H 4.105 0.05 1 908 . 89 MET HB2 H 2.466 0.05 2 909 . 89 MET HB3 H 1.842 0.05 2 910 . 89 MET HG2 H 2.513 0.05 2 911 . 89 MET HG3 H 2.392 0.05 2 912 . 89 MET HE H 2.037 0.05 1 913 . 89 MET C C 174.364 0.1 1 914 . 89 MET CA C 56.642 0.1 1 915 . 89 MET CB C 34.241 0.1 1 916 . 89 MET CG C 32.461 0.1 1 917 . 89 MET CE C 18.040 0.1 1 918 . 89 MET N N 108.760 0.1 1 919 . 90 THR H H 8.136 0.05 1 920 . 90 THR HA H 5.574 0.05 1 921 . 90 THR HB H 3.992 0.05 1 922 . 90 THR HG2 H 1.144 0.05 1 923 . 90 THR C C 175.425 0.1 1 924 . 90 THR CA C 58.979 0.1 1 925 . 90 THR CB C 71.373 0.1 1 926 . 90 THR CG2 C 21.951 0.1 1 927 . 90 THR N N 115.127 0.1 1 928 . 91 ALA H H 8.572 0.05 1 929 . 91 ALA HA H 4.723 0.05 1 930 . 91 ALA HB H 1.137 0.05 1 931 . 91 ALA C C 175.517 0.1 1 932 . 91 ALA CA C 50.428 0.1 1 933 . 91 ALA CB C 20.937 0.1 1 934 . 91 ALA N N 125.148 0.1 1 935 . 92 GLU H H 8.635 0.05 1 936 . 92 GLU HA H 4.215 0.05 1 937 . 92 GLU HB2 H 2.004 0.05 2 938 . 92 GLU HB3 H 1.969 0.05 2 939 . 92 GLU HG2 H 2.312 0.05 2 940 . 92 GLU HG3 H 2.282 0.05 2 941 . 92 GLU C C 175.506 0.1 1 942 . 92 GLU CA C 57.462 0.1 1 943 . 92 GLU CB C 30.603 0.1 1 944 . 92 GLU CG C 36.804 0.1 1 945 . 92 GLU N N 124.116 0.1 1 946 . 93 THR H H 7.678 0.05 1 947 . 93 THR HA H 5.124 0.05 1 948 . 93 THR HB H 5.036 0.05 1 949 . 93 THR HG2 H 1.101 0.05 1 950 . 93 THR C C 177.626 0.1 1 951 . 93 THR CA C 61.388 0.1 1 952 . 93 THR CB C 73.460 0.1 1 953 . 93 THR CG2 C 21.275 0.1 1 954 . 93 THR N N 113.155 0.1 1 955 . 94 VAL H H 9.189 0.05 1 956 . 94 VAL HA H 3.745 0.05 1 957 . 94 VAL HB H 2.332 0.05 1 958 . 94 VAL HG1 H 0.980 0.05 2 959 . 94 VAL HG2 H 1.068 0.05 2 960 . 94 VAL C C 177.005 0.1 1 961 . 94 VAL CA C 66.013 0.1 1 962 . 94 VAL CB C 32.273 0.1 1 963 . 94 VAL CG1 C 21.107 0.1 2 964 . 94 VAL CG2 C 23.301 0.1 2 965 . 94 VAL N N 121.912 0.1 1 966 . 95 GLU H H 7.126 0.05 1 967 . 95 GLU HA H 3.877 0.05 1 968 . 95 GLU HB2 H 2.520 0.05 2 969 . 95 GLU HB3 H 2.294 0.05 2 970 . 95 GLU HG2 H 2.441 0.05 2 971 . 95 GLU HG3 H 2.168 0.05 2 972 . 95 GLU C C 176.438 0.1 1 973 . 95 GLU CA C 59.331 0.1 1 974 . 95 GLU CB C 27.568 0.1 1 975 . 95 GLU CG C 36.298 0.1 1 976 . 95 GLU N N 120.624 0.1 1 977 . 96 GLY H H 7.496 0.05 1 978 . 96 GLY HA2 H 4.512 0.05 2 979 . 96 GLY HA3 H 3.495 0.05 2 980 . 96 GLY C C 175.713 0.1 1 981 . 96 GLY CA C 44.683 0.1 1 982 . 96 GLY N N 107.133 0.1 1 983 . 97 GLY H H 8.615 0.05 1 984 . 97 GLY HA2 H 4.302 0.05 2 985 . 97 GLY HA3 H 3.954 0.05 2 986 . 97 GLY C C 173.102 0.1 1 987 . 97 GLY CA C 44.796 0.1 1 988 . 97 GLY N N 109.289 0.1 1 989 . 98 ALA H H 8.942 0.05 1 990 . 98 ALA HA H 5.345 0.05 1 991 . 98 ALA HB H 1.297 0.05 1 992 . 98 ALA C C 178.147 0.1 1 993 . 98 ALA CA C 51.074 0.1 1 994 . 98 ALA CB C 21.067 0.1 1 995 . 98 ALA N N 123.914 0.1 1 996 . 99 LEU H H 8.842 0.05 1 997 . 99 LEU HA H 4.618 0.05 1 998 . 99 LEU HB2 H 1.226 0.05 2 999 . 99 LEU HB3 H 0.753 0.05 2 1000 . 99 LEU HG H 1.114 0.05 1 1001 . 99 LEU HD1 H 0.093 0.05 2 1002 . 99 LEU HD2 H -0.059 0.05 2 1003 . 99 LEU C C 176.642 0.1 1 1004 . 99 LEU CA C 53.239 0.1 1 1005 . 99 LEU CB C 43.731 0.1 1 1006 . 99 LEU CG C 26.009 0.1 1 1007 . 99 LEU CD1 C 24.928 0.1 2 1008 . 99 LEU CD2 C 22.343 0.1 2 1009 . 99 LEU N N 123.359 0.1 1 1010 . 100 THR H H 8.345 0.05 1 1011 . 100 THR HA H 4.942 0.05 1 1012 . 100 THR HB H 3.868 0.05 1 1013 . 100 THR HG2 H 0.996 0.05 1 1014 . 100 THR C C 174.344 0.1 1 1015 . 100 THR CA C 62.027 0.1 1 1016 . 100 THR CB C 70.302 0.1 1 1017 . 100 THR CG2 C 20.851 0.1 1 1018 . 100 THR N N 115.246 0.1 1 1019 . 101 VAL H H 9.145 0.05 1 1020 . 101 VAL HA H 4.950 0.05 1 1021 . 101 VAL HB H 2.143 0.05 1 1022 . 101 VAL HG1 H 0.749 0.05 2 1023 . 101 VAL HG2 H 0.743 0.05 2 1024 . 101 VAL C C 175.454 0.1 1 1025 . 101 VAL CA C 61.095 0.1 1 1026 . 101 VAL CB C 33.517 0.1 1 1027 . 101 VAL CG1 C 24.800 0.1 2 1028 . 101 VAL CG2 C 18.044 0.1 2 1029 . 101 VAL N N 131.115 0.1 1 1030 . 102 THR H H 8.537 0.05 1 1031 . 102 THR HA H 4.421 0.05 1 1032 . 102 THR HB H 4.215 0.05 1 1033 . 102 THR HG2 H 1.116 0.05 1 1034 . 102 THR C C 172.533 0.1 1 1035 . 102 THR CA C 59.690 0.1 1 1036 . 102 THR CB C 71.727 0.1 1 1037 . 102 THR CG2 C 21.613 0.1 1 1038 . 102 THR N N 116.531 0.1 1 1039 . 103 LEU H H 9.467 0.05 1 1040 . 103 LEU HA H 4.458 0.05 1 1041 . 103 LEU HB2 H 1.664 0.05 2 1042 . 103 LEU HB3 H 1.389 0.05 2 1043 . 103 LEU HG H 1.165 0.05 1 1044 . 103 LEU HD1 H 0.742 0.05 2 1045 . 103 LEU HD2 H 0.646 0.05 2 1046 . 103 LEU C C 178.714 0.1 1 1047 . 103 LEU CA C 54.648 0.1 1 1048 . 103 LEU CB C 43.974 0.1 1 1049 . 103 LEU CG C 26.846 0.1 1 1050 . 103 LEU CD1 C 25.700 0.1 1 1051 . 103 LEU CD2 C 25.700 0.1 1 1052 . 103 LEU N N 119.346 0.1 1 1053 . 104 GLU H H 8.126 0.05 1 1054 . 104 GLU HA H 4.106 0.05 1 1055 . 104 GLU HB2 H 1.972 0.05 2 1056 . 104 GLU HB3 H 1.934 0.05 2 1057 . 104 GLU HG2 H 2.197 0.05 2 1058 . 104 GLU HG3 H 2.160 0.05 2 1059 . 104 GLU C C 175.841 0.1 1 1060 . 104 GLU CA C 58.282 0.1 1 1061 . 104 GLU CB C 29.142 0.1 1 1062 . 104 GLU CG C 35.960 0.1 1 1063 . 104 GLU N N 124.414 0.1 1 1064 . 105 GLY H H 9.117 0.05 1 1065 . 105 GLY HA2 H 3.931 0.05 2 1066 . 105 GLY HA3 H 3.970 0.05 2 1067 . 105 GLY C C 174.211 0.1 1 1068 . 105 GLY CA C 45.616 0.1 1 1069 . 105 GLY N N 117.080 0.1 1 1070 . 106 GLY H H 7.687 0.05 1 1071 . 106 GLY HA2 H 4.416 0.05 2 1072 . 106 GLY HA3 H 3.797 0.05 2 1073 . 106 GLY C C 170.489 0.1 1 1074 . 106 GLY CA C 43.050 0.1 1 1075 . 106 GLY N N 110.942 0.1 1 1076 . 107 PRO HA H 4.398 0.05 1 1077 . 107 PRO HB2 H 1.715 0.05 2 1078 . 107 PRO HB3 H 1.948 0.05 2 1079 . 107 PRO HG2 H 2.291 0.05 2 1080 . 107 PRO HG3 H 1.942 0.05 2 1081 . 107 PRO HD2 H 3.138 0.05 2 1082 . 107 PRO HD3 H 3.632 0.05 2 1083 . 107 PRO C C 177.215 0.1 1 1084 . 107 PRO CA C 63.316 0.1 1 1085 . 107 PRO CB C 31.243 0.1 1 1086 . 107 PRO CG C 27.521 0.1 1 1087 . 107 PRO CD C 49.709 0.1 1 1088 . 108 LYS H H 9.104 0.05 1 1089 . 108 LYS HA H 5.046 0.05 1 1090 . 108 LYS HB2 H 1.451 0.05 2 1091 . 108 LYS HB3 H 1.035 0.05 2 1092 . 108 LYS HG2 H 1.368 0.05 2 1093 . 108 LYS HG3 H 1.695 0.05 2 1094 . 108 LYS HD2 H 0.786 0.05 2 1095 . 108 LYS HD3 H 0.639 0.05 2 1096 . 108 LYS HE2 H 3.066 0.05 2 1097 . 108 LYS HE3 H 2.933 0.05 2 1098 . 108 LYS C C 174.575 0.1 1 1099 . 108 LYS CA C 55.112 0.1 1 1100 . 108 LYS CB C 38.867 0.1 1 1101 . 108 LYS CG C 24.209 0.1 1 1102 . 108 LYS CD C 29.209 0.1 1 1103 . 108 LYS CE C 38.338 0.1 1 1104 . 108 LYS N N 124.924 0.1 1 1105 . 109 VAL H H 8.768 0.05 1 1106 . 109 VAL HA H 3.700 0.05 1 1107 . 109 VAL HB H 1.273 0.05 1 1108 . 109 VAL HG1 H 0.442 0.05 2 1109 . 109 VAL HG2 H 0.296 0.05 2 1110 . 109 VAL C C 174.42 0.1 1 1111 . 109 VAL CA C 57.925 0.1 1 1112 . 109 VAL CB C 34.185 0.1 1 1113 . 109 VAL CG1 C 21.187 0.1 2 1114 . 109 VAL CG2 C 20.888 0.1 2 1115 . 109 VAL N N 115.018 0.1 1 1116 . 110 ASN H H 9.504 0.05 1 1117 . 110 ASN HA H 4.142 0.05 1 1118 . 110 ASN HB2 H 2.867 0.05 2 1119 . 110 ASN HB3 H 3.192 0.05 2 1120 . 110 ASN HD21 H 6.754 0.05 2 1121 . 110 ASN HD22 H 7.839 0.05 2 1122 . 110 ASN C C 175.425 0.1 1 1123 . 110 ASN CA C 53.391 0.1 1 1124 . 110 ASN CB C 36.221 0.1 1 1125 . 110 ASN N N 125.772 0.1 1 1126 . 110 ASN ND2 N 110.743 0.1 1 1127 . 111 GLY H H 8.568 0.05 1 1128 . 111 GLY HA2 H 4.059 0.05 2 1129 . 111 GLY HA3 H 3.339 0.05 2 1130 . 111 GLY C C 173.175 0.1 1 1131 . 111 GLY CA C 45.620 0.1 1 1132 . 111 GLY N N 101.192 0.1 1 1133 . 112 VAL H H 8.333 0.05 1 1134 . 112 VAL HA H 3.948 0.05 1 1135 . 112 VAL HB H 2.238 0.05 1 1136 . 112 VAL HG1 H 0.741 0.05 2 1137 . 112 VAL HG2 H 0.795 0.05 2 1138 . 112 VAL C C 175.476 0.1 1 1139 . 112 VAL CA C 61.932 0.1 1 1140 . 112 VAL CB C 31.866 0.1 1 1141 . 112 VAL CG1 C 21.613 0.1 2 1142 . 112 VAL CG2 C 22.963 0.1 2 1143 . 112 VAL N N 125.036 0.1 1 1144 . 113 SER H H 8.614 0.05 1 1145 . 113 SER HA H 4.201 0.05 1 1146 . 113 SER HB2 H 3.807 0.05 2 1147 . 113 SER HB3 H 3.682 0.05 2 1148 . 113 SER C C 174.885 0.1 1 1149 . 113 SER CA C 60.895 0.1 1 1150 . 113 SER CB C 63.651 0.1 1 1151 . 113 SER N N 121.205 0.1 1 1152 . 114 ILE H H 7.636 0.05 1 1153 . 114 ILE HA H 4.637 0.05 1 1154 . 114 ILE HB H 1.654 0.05 1 1155 . 114 ILE HG12 H 1.651 0.05 2 1156 . 114 ILE HG13 H 1.941 0.05 2 1157 . 114 ILE HG2 H 0.761 0.05 1 1158 . 114 ILE HD1 H 0.600 0.05 1 1159 . 114 ILE C C 175.504 0.1 1 1160 . 114 ILE CA C 60.218 0.1 1 1161 . 114 ILE CB C 38.051 0.1 1 1162 . 114 ILE CG1 C 27.273 0.1 1 1163 . 114 ILE CG2 C 17.899 0.1 1 1164 . 114 ILE CD1 C 13.342 0.1 1 1165 . 114 ILE N N 122.944 0.1 1 1166 . 115 SER H H 8.671 0.05 1 1167 . 115 SER HA H 4.377 0.05 1 1168 . 115 SER HB2 H 4.088 0.05 2 1169 . 115 SER HB3 H 3.787 0.05 2 1170 . 115 SER C C 176.488 0.1 1 1171 . 115 SER CA C 58.404 0.1 1 1172 . 115 SER CB C 63.428 0.1 1 1173 . 115 SER N N 123.070 0.1 1 1174 . 116 GLN H H 7.285 0.05 1 1175 . 116 GLN HA H 4.812 0.05 1 1176 . 116 GLN HB2 H 1.964 0.05 2 1177 . 116 GLN HB3 H 2.069 0.05 2 1178 . 116 GLN HG2 H 2.269 0.05 2 1179 . 116 GLN HG3 H 2.173 0.05 2 1180 . 116 GLN C C 171.162 0.1 1 1181 . 116 GLN CA C 53.945 0.1 1 1182 . 116 GLN CB C 29.570 0.1 1 1183 . 116 GLN CG C 36.129 0.1 1 1184 . 116 GLN N N 118.913 0.1 1 1185 . 117 PRO HA H 5.272 0.05 1 1186 . 117 PRO HB2 H 2.082 0.05 2 1187 . 117 PRO HB3 H 1.998 0.05 2 1188 . 117 PRO HG2 H 2.061 0.05 2 1189 . 117 PRO HG3 H 1.863 0.05 2 1190 . 117 PRO HD2 H 3.500 0.05 2 1191 . 117 PRO HD3 H 3.849 0.05 2 1192 . 117 PRO C C 176.638 0.1 1 1193 . 117 PRO CA C 62.033 0.1 1 1194 . 117 PRO CB C 33.704 0.1 1 1195 . 117 PRO CG C 25.833 0.1 1 1196 . 117 PRO CD C 50.814 0.1 1 1197 . 118 ASP H H 10.518 0.05 1 1198 . 118 ASP HA H 3.964 0.05 1 1199 . 118 ASP HB2 H 2.835 0.05 2 1200 . 118 ASP HB3 H 2.991 0.05 2 1201 . 118 ASP C C 175.144 0.1 1 1202 . 118 ASP CA C 55.000 0.1 1 1203 . 118 ASP CB C 37.836 0.1 1 1204 . 118 ASP N N 116.998 0.1 1 1205 . 119 VAL H H 9.147 0.05 1 1206 . 119 VAL HA H 3.902 0.05 1 1207 . 119 VAL HB H 2.301 0.05 1 1208 . 119 VAL HG1 H 0.795 0.05 2 1209 . 119 VAL HG2 H 0.707 0.05 2 1210 . 119 VAL C C 175.091 0.1 1 1211 . 119 VAL CA C 63.674 0.1 1 1212 . 119 VAL CB C 29.758 0.1 1 1213 . 119 VAL CG1 C 20.648 0.1 2 1214 . 119 VAL CG2 C 21.085 0.1 2 1215 . 119 VAL N N 123.304 0.1 1 1216 . 120 ASP H H 8.004 0.05 1 1217 . 120 ASP HA H 4.404 0.05 1 1218 . 120 ASP HB2 H 2.565 0.05 2 1219 . 120 ASP HB3 H 2.515 0.05 2 1220 . 120 ASP C C 173.895 0.1 1 1221 . 120 ASP CA C 55.879 0.1 1 1222 . 120 ASP CB C 42.856 0.1 1 1223 . 120 ASP N N 127.122 0.1 1 1224 . 121 ALA H H 7.922 0.05 1 1225 . 121 ALA HA H 4.801 0.05 1 1226 . 121 ALA HB H 1.140 0.05 1 1227 . 121 ALA C C 177.19 0.1 1 1228 . 121 ALA CA C 50.075 0.1 1 1229 . 121 ALA CB C 22.852 0.1 1 1230 . 121 ALA N N 121.287 0.1 1 1231 . 122 SER H H 8.927 0.05 1 1232 . 122 SER HA H 4.037 0.05 1 1233 . 122 SER HB2 H 3.803 0.05 2 1234 . 122 SER HB3 H 3.571 0.05 2 1235 . 122 SER C C 175.498 0.1 1 1236 . 122 SER CA C 60.858 0.1 1 1237 . 122 SER CB C 62.391 0.1 1 1238 . 122 SER N N 116.371 0.1 1 1239 . 123 ASN H H 8.140 0.05 1 1240 . 123 ASN HA H 4.930 0.05 1 1241 . 123 ASN HB2 H 2.561 0.05 2 1242 . 123 ASN HB3 H 3.328 0.05 2 1243 . 123 ASN HD21 H 7.394 0.05 2 1244 . 123 ASN HD22 H 8.510 0.05 2 1245 . 123 ASN C C 173.67 0.1 1 1246 . 123 ASN CA C 51.714 0.1 1 1247 . 123 ASN CB C 36.777 0.1 1 1248 . 123 ASN N N 118.520 0.1 1 1249 . 123 ASN ND2 N 111.734 0.1 1 1250 . 124 GLY H H 6.939 0.05 1 1251 . 124 GLY HA2 H 5.583 0.05 2 1252 . 124 GLY HA3 H 3.490 0.05 2 1253 . 124 GLY C C 170.692 0.1 1 1254 . 124 GLY CA C 45.618 0.1 1 1255 . 124 GLY N N 104.374 0.1 1 1256 . 125 VAL H H 8.779 0.05 1 1257 . 125 VAL HA H 4.590 0.05 1 1258 . 125 VAL HB H 1.830 0.05 1 1259 . 125 VAL HG1 H 0.819 0.05 2 1260 . 125 VAL HG2 H 0.584 0.05 2 1261 . 125 VAL C C 171.254 0.1 1 1262 . 125 VAL CA C 59.331 0.1 1 1263 . 125 VAL CB C 35.273 0.1 1 1264 . 125 VAL CG1 C 21.107 0.1 2 1265 . 125 VAL CG2 C 20.431 0.1 2 1266 . 125 VAL N N 122.066 0.1 1 1267 . 126 ILE H H 8.703 0.05 1 1268 . 126 ILE HA H 4.595 0.05 1 1269 . 126 ILE HB H 1.445 0.05 1 1270 . 126 ILE HG12 H 1.804 0.05 2 1271 . 126 ILE HG13 H 1.957 0.05 2 1272 . 126 ILE HG2 H 0.857 0.05 1 1273 . 126 ILE HD1 H 0.462 0.05 1 1274 . 126 ILE C C 173.333 0.1 1 1275 . 126 ILE CA C 58.983 0.1 1 1276 . 126 ILE CB C 41.473 0.1 1 1277 . 126 ILE CG1 C 29.095 0.1 1 1278 . 126 ILE CG2 C 19.285 0.1 1 1279 . 126 ILE CD1 C 17.125 0.1 1 1280 . 126 ILE N N 126.185 0.1 1 1281 . 127 HIS H H 8.717 0.05 1 1282 . 127 HIS HA H 5.379 0.05 1 1283 . 127 HIS HB2 H 2.660 0.05 2 1284 . 127 HIS HB3 H 2.583 0.05 2 1285 . 127 HIS C C 174.938 0.1 1 1286 . 127 HIS CA C 53.361 0.1 1 1287 . 127 HIS CB C 32.849 0.1 1 1288 . 127 HIS N N 124.703 0.1 1 1289 . 128 VAL H H 8.689 0.05 1 1290 . 128 VAL HA H 4.347 0.05 1 1291 . 128 VAL HB H 2.154 0.05 1 1292 . 128 VAL HG1 H 1.253 0.05 2 1293 . 128 VAL C C 175.04 0.1 1 1294 . 128 VAL CA C 64.373 0.1 1 1295 . 128 VAL CB C 32.052 0.1 1 1296 . 128 VAL CG1 C 22.373 0.1 2 1297 . 128 VAL N N 126.749 0.1 1 1298 . 129 ILE H H 8.507 0.05 1 1299 . 129 ILE HA H 5.579 0.05 1 1300 . 129 ILE HB H 1.918 0.05 1 1301 . 129 ILE HG12 H 1.062 0.05 2 1302 . 129 ILE HG13 H 0.991 0.05 2 1303 . 129 ILE HG2 H 1.021 0.05 1 1304 . 129 ILE HD1 H 0.736 0.05 1 1305 . 129 ILE C C 175.875 0.1 1 1306 . 129 ILE CA C 59.316 0.1 1 1307 . 129 ILE CB C 42.275 0.1 1 1308 . 129 ILE CG1 C 26.339 0.1 1 1309 . 129 ILE CG2 C 19.721 0.1 1 1310 . 129 ILE CD1 C 15.705 0.1 1 1311 . 129 ILE N N 119.321 0.1 1 1312 . 130 ASP H H 7.524 0.05 1 1313 . 130 ASP HA H 4.838 0.05 1 1314 . 130 ASP HB2 H 2.465 0.05 2 1315 . 130 ASP HB3 H 2.945 0.05 2 1316 . 130 ASP C C 175.401 0.1 1 1317 . 130 ASP CA C 53.594 0.1 1 1318 . 130 ASP CB C 41.357 0.1 1 1319 . 130 ASP N N 117.530 0.1 1 1320 . 131 GLY H H 7.251 0.05 1 1321 . 131 GLY HA2 H 4.271 0.05 2 1322 . 131 GLY HA3 H 3.569 0.05 2 1323 . 131 GLY C C 173.199 0.1 1 1324 . 131 GLY CA C 44.096 0.1 1 1325 . 131 GLY N N 108.703 0.1 1 1326 . 132 VAL H H 7.887 0.05 1 1327 . 132 VAL HA H 4.099 0.05 1 1328 . 132 VAL HB H 1.646 0.05 1 1329 . 132 VAL HG1 H 0.791 0.05 2 1330 . 132 VAL HG2 H -0.109 0.05 2 1331 . 132 VAL C C 176.204 0.1 1 1332 . 132 VAL CA C 61.565 0.1 1 1333 . 132 VAL CB C 33.135 0.1 1 1334 . 132 VAL CG1 C 20.656 0.1 2 1335 . 132 VAL CG2 C 20.431 0.1 2 1336 . 132 VAL N N 117.665 0.1 1 1337 . 133 LEU H H 10.822 0.05 1 1338 . 133 LEU HA H 4.121 0.05 1 1339 . 133 LEU HB2 H 0.876 0.05 2 1340 . 133 LEU HB3 H 0.683 0.05 2 1341 . 133 LEU HG H 1.418 0.05 1 1342 . 133 LEU HD1 H 0.544 0.05 2 1343 . 133 LEU HD2 H 0.280 0.05 2 1344 . 133 LEU C C 174.675 0.1 1 1345 . 133 LEU CA C 54.764 0.1 1 1346 . 133 LEU CB C 40.656 0.1 1 1347 . 133 LEU CG C 25.495 0.1 1 1348 . 133 LEU CD1 C 22.288 0.1 2 1349 . 133 LEU CD2 C 26.094 0.1 2 1350 . 133 LEU N N 132.969 0.1 1 1351 . 134 MET H H 7.704 0.05 1 1352 . 134 MET HA H 5.133 0.05 1 1353 . 134 MET HB2 H 1.851 0.05 2 1354 . 134 MET HB3 H 1.795 0.05 2 1355 . 134 MET HG2 H 2.417 0.05 2 1356 . 134 MET HG3 H 2.565 0.05 2 1357 . 134 MET C C 174.322 0.1 1 1358 . 134 MET CA C 50.902 0.1 1 1359 . 134 MET CB C 34.238 0.1 1 1360 . 134 MET CG C 32.761 0.1 1 1361 . 134 MET N N 116.329 0.1 1 1362 . 135 PRO HA H 4.404 0.05 1 1363 . 135 PRO HB2 H 1.491 0.05 2 1364 . 135 PRO HB3 H 1.174 0.05 2 1365 . 135 PRO HG2 H 1.676 0.05 2 1366 . 135 PRO HG3 H 1.262 0.05 2 1367 . 135 PRO HD2 H 3.470 0.05 2 1368 . 135 PRO HD3 H 3.642 0.05 2 1369 . 135 PRO C C 176.9 0.1 1 1370 . 135 PRO CA C 62.622 0.1 1 1371 . 135 PRO CB C 31.113 0.1 1 1372 . 135 PRO CG C 26.170 0.1 1 1373 . 135 PRO CD C 51.000 0.1 1 1374 . 136 GLY H H 8.159 0.05 1 1375 . 136 GLY HA2 H 3.736 0.05 2 1376 . 136 GLY HA3 H 3.785 0.05 2 1377 . 136 GLY C C 172.969 0.1 1 1378 . 136 GLY CA C 45.376 0.1 1 1379 . 136 GLY N N 110.080 0.1 1 1380 . 137 ALA H H 7.661 0.05 1 1381 . 137 ALA HA H 4.121 0.05 1 1382 . 137 ALA HB H 1.297 0.05 1 1383 . 137 ALA C C 169.351 0.1 1 1384 . 137 ALA CA C 53.601 0.1 1 1385 . 137 ALA CB C 20.484 0.1 1 1386 . 137 ALA N N 129.260 0.1 1 stop_ save_