data_4913 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N, and 13C Resonance Assignments of ARPP-19 ; _BMRB_accession_number 4913 _BMRB_flat_file_name bmr4913.str _Entry_type original _Submission_date 2000-12-07 _Accession_date 2000-12-07 _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 Huang Hsien-bin . . 2 Chen Yi-Cheng . . 3 Horiuchi Atsuko . . 4 Tsai Li-huang . . 5 Liu Hsin-tzu . . 6 Chyan Chia-lin . . 7 Hsieh Meng-Juei . . 8 Liu Chen-Kung . . 9 Lin Fang-Min . . 10 Greengard Paul . . 11 Nairn Angus C. . 12 Shiao Ming-Shi . . 13 Lin Ta-Hsien . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 410 "13C chemical shifts" 337 "15N chemical shifts" 104 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-08-08 original author . stop_ _Original_release_date 2001-08-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone 1H, 15N, and 13C Resonance Assignments of ARPP-19' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21262926 _PubMed_ID 11370788 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Huang Hsien-bin . . 2 Chen Yi-Cheng . . 3 Horiuchi Atsuko . . 4 Tsai Li-huang . . 5 Liu Hsin-tzu . . 6 Chyan Chia-lin . . 7 Hsieh Meng-Juei . . 8 Liu Chen-Kung . . 9 Lin Fang-Min . . 10 Greengard Paul . . 11 Nairn Angus C. . 12 Shiao Ming-Shi . . 13 Lin Ta-Hsien . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 19 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 383 _Page_last 384 _Year 2001 _Details . loop_ _Keyword ARPP-19 stop_ save_ ################################## # Molecular system description # ################################## save_system_ARPP-19 _Saveframe_category molecular_system _Mol_system_name 'cAMP-regulated phosphoprotein-19 monomer' _Abbreviation_common ARPP-19 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ARPP-19 monomer' $ARPP-19 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ARPP-19 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'cAMP-regulated Phosphoprotein-19' _Abbreviation_common ARPP-19 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; GSHMSAEVPEAASAEEQKEM EDKVTSPEKAEEAKLKARYP HLGQKPGGSDFLRKRLQKGQ KYFDSGDYNMAKAKMKNKQL PAAAPDKTEVTGDHIPTPQD LPQRKPSLVASKLAG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 SER 6 ALA 7 GLU 8 VAL 9 PRO 10 GLU 11 ALA 12 ALA 13 SER 14 ALA 15 GLU 16 GLU 17 GLN 18 LYS 19 GLU 20 MET 21 GLU 22 ASP 23 LYS 24 VAL 25 THR 26 SER 27 PRO 28 GLU 29 LYS 30 ALA 31 GLU 32 GLU 33 ALA 34 LYS 35 LEU 36 LYS 37 ALA 38 ARG 39 TYR 40 PRO 41 HIS 42 LEU 43 GLY 44 GLN 45 LYS 46 PRO 47 GLY 48 GLY 49 SER 50 ASP 51 PHE 52 LEU 53 ARG 54 LYS 55 ARG 56 LEU 57 GLN 58 LYS 59 GLY 60 GLN 61 LYS 62 TYR 63 PHE 64 ASP 65 SER 66 GLY 67 ASP 68 TYR 69 ASN 70 MET 71 ALA 72 LYS 73 ALA 74 LYS 75 MET 76 LYS 77 ASN 78 LYS 79 GLN 80 LEU 81 PRO 82 ALA 83 ALA 84 ALA 85 PRO 86 ASP 87 LYS 88 THR 89 GLU 90 VAL 91 THR 92 GLY 93 ASP 94 HIS 95 ILE 96 PRO 97 THR 98 PRO 99 GLN 100 ASP 101 LEU 102 PRO 103 GLN 104 ARG 105 LYS 106 PRO 107 SER 108 LEU 109 VAL 110 ALA 111 SER 112 LYS 113 LEU 114 ALA 115 GLY 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 DBJ BAC33908 "unnamed protein product [Mus musculus]" 97.39 112 100.00 100.00 2.93e-73 DBJ BAE88647 "unnamed protein product [Macaca fascicularis]" 83.48 96 100.00 100.00 6.09e-62 DBJ BAG34694 "unnamed protein product [Homo sapiens]" 97.39 112 99.11 99.11 1.20e-72 EMBL CAA06795 "cAMP-regulated phosphoprotein [Sus scrofa]" 97.39 112 99.11 99.11 1.20e-72 EMBL CAA06796 "cAMP-regulated phosphoprotein [Rattus norvegicus]" 97.39 112 100.00 100.00 2.93e-73 EMBL CAA06797 "cAMP-regulated phosphoprotein [Mus musculus]" 97.39 112 100.00 100.00 2.93e-73 EMBL CAA11115 "ARPP-19 [Homo sapiens]" 97.39 112 99.11 99.11 1.20e-72 EMBL CAD89929 "hypothetical protein [Homo sapiens]" 100.00 133 98.26 98.26 2.58e-74 GB AAA30385 "cAMP-regulated phosphoprotein (ARPP-19) [Bos taurus]" 83.48 96 97.92 97.92 8.79e-61 GB AAA30386 "cAMP-regulated phosphoprotein [Bos taurus]" 97.39 112 98.21 98.21 4.28e-72 GB AAB30131 "ARPP-16=dopamine and cAMP-regulated phosphoprotein [human, brain, Peptide, 96 aa]" 83.48 96 98.96 98.96 2.40e-61 GB AAD52044 "okadaic acid-inducible and cAMP-regulated phosphoprotein 19 [Homo sapiens]" 97.39 112 99.11 99.11 1.20e-72 GB AAH03418 "Cyclic AMP phosphoprotein, 19 kD [Homo sapiens]" 97.39 112 99.11 99.11 1.20e-72 PRF 2007396C "phosphoprotein ARPP-16" 83.48 96 98.96 98.96 2.40e-61 REF NP_001106726 "cAMP-regulated phosphoprotein 19 isoform 1 [Bos taurus]" 97.39 112 98.21 98.21 4.28e-72 REF NP_001136127 "cAMP-regulated phosphoprotein 19 isoform 2 [Mus musculus]" 99.13 145 99.12 99.12 1.13e-73 REF NP_001232557 "cAMP-regulated phosphoprotein 19 [Taeniopygia guttata]" 83.48 96 97.92 97.92 2.34e-60 REF NP_001253378 "cAMP-regulated phosphoprotein 19 [Macaca mulatta]" 97.39 112 100.00 100.00 2.93e-73 REF NP_001270344 "uncharacterized protein LOC101925425 [Macaca fascicularis]" 83.48 96 100.00 100.00 6.09e-62 SP P56211 "RecName: Full=cAMP-regulated phosphoprotein 19; Short=ARPP-19 [Homo sapiens]" 97.39 112 99.11 99.11 1.20e-72 SP P56212 "RecName: Full=cAMP-regulated phosphoprotein 19; Short=ARPP-19 [Mus musculus]" 97.39 112 100.00 100.00 2.93e-73 SP Q28055 "RecName: Full=cAMP-regulated phosphoprotein 19; Short=ARPP-19 [Bos taurus]" 97.39 112 98.21 98.21 4.28e-72 SP Q712U5 "RecName: Full=cAMP-regulated phosphoprotein 19; Short=ARPP-19 [Rattus norvegicus]" 97.39 112 100.00 100.00 2.93e-73 SP Q712U6 "RecName: Full=cAMP-regulated phosphoprotein 19; Short=ARPP-19 [Sus scrofa]" 97.39 112 99.11 99.11 1.20e-72 TPG DAA25194 "TPA: cAMP-regulated phosphoprotein 19 isoform 1 [Bos taurus]" 97.39 112 98.21 98.21 4.28e-72 TPG DAA25195 "TPA: cAMP-regulated phosphoprotein 19 isoform 2 [Bos taurus]" 83.48 96 97.92 97.92 8.79e-61 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ARPP-19 'E. coli' 562 Bacteria . Escherichia coli 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 $ARPP-19 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ARPP-19 . mM 1.0 1.8 '[U-15N; U-13C]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HBHA(CBCACO)NH_and_1H-15N-TOCSY-HSQC_were_used_for_the_assignments_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'HBHA(CBCACO)NH and 1H-15N-TOCSY-HSQC were used for the assignments' _Sample_label $sample_1 save_ save_of_1Ha_resonances_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'of 1Ha resonances' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.2 n/a temperature 296 0.2 K 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_ARPP-19_CS _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'ARPP-19 monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 GLY HA2 H 3.879 0.02 1 2 . 1 GLY HA3 H 3.879 0.02 1 3 . 1 GLY C C 178.244 0.15 1 4 . 1 GLY CA C 43.297 0.15 1 5 . 2 SER H H 8.688 0.02 1 6 . 2 SER HA H 4.456 0.02 1 7 . 2 SER HB2 H 3.813 0.02 1 8 . 2 SER HB3 H 3.813 0.02 1 9 . 2 SER C C 174.322 0.15 1 10 . 2 SER CA C 58.214 0.15 1 11 . 2 SER CB C 63.876 0.15 1 12 . 2 SER N N 115.605 0.15 1 13 . 3 HIS H H 8.739 0.02 1 14 . 3 HIS HA H 4.722 0.02 1 15 . 3 HIS HB2 H 3.280 0.02 1 16 . 3 HIS HB3 H 3.168 0.02 1 17 . 3 HIS C C 174.325 0.15 1 18 . 3 HIS CA C 55.363 0.15 1 19 . 3 HIS CB C 28.830 0.15 1 20 . 3 HIS N N 120.543 0.15 1 21 . 4 MET H H 8.502 0.02 1 22 . 4 MET HA H 4.485 0.02 1 23 . 4 MET HB2 H 2.076 0.02 1 24 . 4 MET HB3 H 1.968 0.02 1 25 . 4 MET C C 176.119 0.15 1 26 . 4 MET CA C 55.486 0.15 1 27 . 4 MET CB C 32.852 0.15 1 28 . 4 MET N N 122.097 0.15 1 29 . 5 SER H H 8.402 0.02 1 30 . 5 SER HA H 4.418 0.02 1 31 . 5 SER HB2 H 3.860 0.02 1 32 . 5 SER HB3 H 3.860 0.02 1 33 . 5 SER C C 174.054 0.15 1 34 . 5 SER CA C 58.282 0.15 1 35 . 5 SER CB C 63.717 0.15 1 36 . 5 SER N N 117.490 0.15 1 37 . 6 ALA H H 8.364 0.02 1 38 . 6 ALA HA H 4.331 0.02 1 39 . 6 ALA HB H 1.369 0.02 1 40 . 6 ALA C C 177.420 0.15 1 41 . 6 ALA CA C 52.354 0.15 1 42 . 6 ALA CB C 19.235 0.15 1 43 . 6 ALA N N 125.764 0.15 1 44 . 7 GLU H H 8.314 0.02 1 45 . 7 GLU HA H 4.271 0.02 1 46 . 7 GLU HB2 H 2.009 0.02 1 47 . 7 GLU HB3 H 1.908 0.02 1 48 . 7 GLU C C 176.116 0.15 1 49 . 7 GLU CA C 56.240 0.15 1 50 . 7 GLU CB C 29.829 0.15 1 51 . 7 GLU N N 119.962 0.15 1 52 . 8 VAL H H 8.176 0.02 1 53 . 8 VAL HA H 4.406 0.02 1 54 . 8 VAL HB H 2.081 0.02 1 55 . 8 VAL C C 174.372 0.15 1 56 . 8 VAL CA C 59.738 0.15 1 57 . 8 VAL CB C 32.482 0.15 1 58 . 8 VAL N N 122.629 0.15 1 59 . 9 PRO HA H 4.384 0.02 1 60 . 9 PRO HB2 H 2.283 0.02 1 61 . 9 PRO HB3 H 1.878 0.02 1 62 . 9 PRO C C 176.988 0.15 1 63 . 9 PRO CA C 63.227 0.15 1 64 . 9 PRO CB C 32.056 0.15 1 65 . 10 GLU H H 8.496 0.02 1 66 . 10 GLU HA H 4.216 0.02 1 67 . 10 GLU HB2 H 2.033 0.02 1 68 . 10 GLU HB3 H 1.951 0.02 1 69 . 10 GLU C C 176.304 0.15 1 70 . 10 GLU CA C 56.488 0.15 1 71 . 10 GLU CB C 29.653 0.15 1 72 . 10 GLU N N 121.057 0.15 1 73 . 11 ALA H H 8.329 0.02 1 74 . 11 ALA HA H 4.270 0.02 1 75 . 11 ALA HB H 1.378 0.02 1 76 . 11 ALA C C 177.623 0.15 1 77 . 11 ALA CA C 52.518 0.15 1 78 . 11 ALA CB C 19.116 0.15 1 79 . 11 ALA N N 125.182 0.15 1 80 . 12 ALA H H 8.278 0.02 1 81 . 12 ALA HA H 4.306 0.02 1 82 . 12 ALA HB H 1.380 0.02 1 83 . 12 ALA C C 178.073 0.15 1 84 . 12 ALA CA C 52.627 0.15 1 85 . 12 ALA CB C 19.107 0.15 1 86 . 12 ALA N N 123.251 0.15 1 87 . 13 SER H H 8.253 0.02 1 88 . 13 SER HA H 4.402 0.02 1 89 . 13 SER HB2 H 3.985 0.02 1 90 . 13 SER HB3 H 3.885 0.02 1 91 . 13 SER C C 174.828 0.15 1 92 . 13 SER CA C 58.318 0.15 1 93 . 13 SER CB C 63.870 0.15 1 94 . 13 SER N N 115.142 0.15 1 95 . 14 ALA H H 8.435 0.02 1 96 . 14 ALA HA H 4.254 0.02 1 97 . 14 ALA HB H 1.418 0.02 1 98 . 14 ALA C C 178.770 0.15 1 99 . 14 ALA CA C 53.502 0.15 1 100 . 14 ALA CB C 18.776 0.15 1 101 . 14 ALA N N 125.653 0.15 1 102 . 15 GLU H H 8.319 0.02 1 103 . 15 GLU HA H 4.185 0.02 1 104 . 15 GLU HB2 H 2.014 0.02 1 105 . 15 GLU HB3 H 2.014 0.02 1 106 . 15 GLU C C 177.228 0.15 1 107 . 15 GLU CA C 57.369 0.15 1 108 . 15 GLU CB C 29.304 0.15 1 109 . 15 GLU N N 118.951 0.15 1 110 . 16 GLU H H 8.178 0.02 1 111 . 16 GLU HA H 4.174 0.02 1 112 . 16 GLU HB2 H 2.040 0.02 1 113 . 16 GLU C C 177.229 0.15 1 114 . 16 GLU CA C 57.296 0.15 1 115 . 16 GLU CB C 29.310 0.15 1 116 . 16 GLU N N 120.963 0.15 1 117 . 17 GLN H H 8.296 0.02 1 118 . 17 GLN HA H 4.198 0.02 1 119 . 17 GLN HB2 H 2.101 0.02 1 120 . 17 GLN HB3 H 2.015 0.02 1 121 . 17 GLN C C 176.795 0.15 1 122 . 17 GLN CA C 56.897 0.15 1 123 . 17 GLN CB C 28.971 0.15 1 124 . 17 GLN N N 120.526 0.15 1 125 . 18 LYS H H 8.129 0.02 1 126 . 18 LYS HA H 4.203 0.02 1 127 . 18 LYS HB2 H 1.824 0.02 1 128 . 18 LYS HB3 H 1.824 0.02 1 129 . 18 LYS C C 177.258 0.15 1 130 . 18 LYS CA C 57.228 0.15 1 131 . 18 LYS CB C 32.581 0.15 1 132 . 18 LYS N N 121.625 0.15 1 133 . 19 GLU H H 8.245 0.02 1 134 . 19 GLU HA H 4.230 0.02 1 135 . 19 GLU HB2 H 2.080 0.02 1 136 . 19 GLU HB3 H 2.014 0.02 1 137 . 19 GLU C C 177.075 0.15 1 138 . 19 GLU CA C 57.090 0.15 1 139 . 19 GLU CB C 29.259 0.15 1 140 . 19 GLU N N 120.130 0.15 1 141 . 20 MET H H 8.181 0.02 1 142 . 20 MET HA H 4.388 0.02 1 143 . 20 MET HB2 H 2.084 0.02 1 144 . 20 MET HB3 H 2.084 0.02 1 145 . 20 MET C C 176.870 0.15 1 146 . 20 MET CA C 56.042 0.15 1 147 . 20 MET CB C 32.608 0.15 1 148 . 20 MET N N 119.841 0.15 1 149 . 21 GLU H H 8.221 0.02 1 150 . 21 GLU HA H 4.232 0.02 1 151 . 21 GLU HB2 H 2.043 0.02 1 152 . 21 GLU HB3 H 2.043 0.02 1 153 . 21 GLU C C 176.504 0.15 1 154 . 21 GLU CA C 56.895 0.15 1 155 . 21 GLU CB C 29.512 0.15 1 156 . 21 GLU N N 120.913 0.15 1 157 . 22 ASP H H 8.325 0.02 1 158 . 22 ASP HA H 4.570 0.02 1 159 . 22 ASP HB2 H 2.707 0.02 1 160 . 22 ASP HB3 H 2.707 0.02 1 161 . 22 ASP C C 176.119 0.15 1 162 . 22 ASP CA C 54.379 0.15 1 163 . 22 ASP CB C 40.415 0.15 1 164 . 22 ASP N N 120.482 0.15 1 165 . 23 LYS H H 8.073 0.02 1 166 . 23 LYS HA H 4.301 0.02 1 167 . 23 LYS HB2 H 1.848 0.02 1 168 . 23 LYS HB3 H 1.780 0.02 1 169 . 23 LYS C C 176.678 0.15 1 170 . 23 LYS CA C 56.460 0.15 1 171 . 23 LYS CB C 32.817 0.15 1 172 . 23 LYS N N 120.778 0.15 1 173 . 24 VAL H H 8.067 0.02 1 174 . 24 VAL HA H 4.185 0.02 1 175 . 24 VAL HB H 2.087 0.02 1 176 . 24 VAL C C 176.464 0.15 1 177 . 24 VAL CA C 62.551 0.15 1 178 . 24 VAL CB C 32.626 0.15 1 179 . 24 VAL N N 120.581 0.15 1 180 . 25 THR H H 8.226 0.02 1 181 . 25 THR HA H 4.348 0.02 1 182 . 25 THR HB H 4.176 0.02 1 183 . 25 THR C C 174.275 0.15 1 184 . 25 THR CA C 61.817 0.15 1 185 . 25 THR CB C 69.773 0.15 1 186 . 25 THR N N 117.839 0.15 1 187 . 26 SER H H 8.320 0.02 1 188 . 26 SER HA H 4.777 0.02 1 189 . 26 SER HB2 H 3.919 0.02 1 190 . 26 SER HB3 H 3.919 0.02 1 191 . 26 SER C C 173.166 0.15 1 192 . 26 SER CA C 56.520 0.15 1 193 . 26 SER CB C 63.208 0.15 1 194 . 26 SER N N 119.463 0.15 1 195 . 27 PRO HA H 4.396 0.02 1 196 . 27 PRO HB2 H 2.317 0.02 1 197 . 27 PRO HB3 H 1.935 0.02 1 198 . 27 PRO C C 177.792 0.15 1 199 . 27 PRO CA C 64.113 0.15 1 200 . 27 PRO CB C 31.802 0.15 1 201 . 28 GLU H H 8.519 0.02 1 202 . 28 GLU HA H 4.196 0.02 1 203 . 28 GLU HB2 H 2.103 0.02 1 204 . 28 GLU HB3 H 2.013 0.02 1 205 . 28 GLU C C 177.524 0.15 1 206 . 28 GLU CA C 57.658 0.15 1 207 . 28 GLU CB C 29.107 0.15 1 208 . 28 GLU N N 119.670 0.15 1 209 . 29 LYS H H 8.135 0.02 1 210 . 29 LYS HA H 4.209 0.02 1 211 . 29 LYS HB2 H 1.848 0.02 1 212 . 29 LYS C C 177.749 0.15 1 213 . 29 LYS CA C 57.226 0.15 1 214 . 29 LYS CB C 32.571 0.15 1 215 . 29 LYS N N 121.731 0.15 1 216 . 30 ALA H H 8.272 0.02 1 217 . 30 ALA HA H 4.210 0.02 1 218 . 30 ALA HB H 1.422 0.02 1 219 . 30 ALA C C 179.210 0.15 1 220 . 30 ALA CA C 53.820 0.15 1 221 . 30 ALA CB C 18.615 0.15 1 222 . 30 ALA N N 124.337 0.15 1 223 . 31 GLU H H 8.282 0.02 1 224 . 31 GLU HA H 4.155 0.02 1 225 . 31 GLU HB2 H 1.800 0.02 1 226 . 31 GLU HB3 H 1.717 0.02 1 227 . 31 GLU C C 177.832 0.15 1 228 . 31 GLU CA C 57.686 0.15 1 229 . 31 GLU CB C 29.221 0.15 1 230 . 31 GLU N N 119.096 0.15 1 231 . 32 GLU H H 8.163 0.02 1 232 . 32 GLU HA H 4.167 0.02 1 233 . 32 GLU HB2 H 2.059 0.02 1 234 . 32 GLU HB3 H 2.059 0.02 1 235 . 32 GLU C C 177.617 0.15 1 236 . 32 GLU CA C 57.985 0.15 1 237 . 32 GLU CB C 29.342 0.15 1 238 . 32 GLU N N 120.683 0.15 1 239 . 33 ALA H H 8.072 0.02 1 240 . 33 ALA HA H 4.153 0.02 1 241 . 33 ALA HB H 1.436 0.02 1 242 . 33 ALA C C 179.321 0.15 1 243 . 33 ALA CA C 53.953 0.15 1 244 . 33 ALA CB C 18.355 0.15 1 245 . 33 ALA N N 122.455 0.15 1 246 . 34 LYS H H 7.881 0.02 1 247 . 34 LYS HA H 4.137 0.02 1 248 . 34 LYS HB2 H 1.854 0.02 1 249 . 34 LYS HB3 H 1.854 0.02 1 250 . 34 LYS C C 177.884 0.15 1 251 . 34 LYS CA C 57.768 0.15 1 252 . 34 LYS CB C 32.496 0.15 1 253 . 34 LYS N N 118.733 0.15 1 254 . 35 LEU H H 7.899 0.02 1 255 . 35 LEU HA H 4.206 0.02 1 256 . 35 LEU HB2 H 1.750 0.02 1 257 . 35 LEU HB3 H 1.607 0.02 1 258 . 35 LEU C C 178.245 0.15 1 259 . 35 LEU CA C 56.284 0.15 1 260 . 35 LEU CB C 41.976 0.15 1 261 . 35 LEU N N 120.734 0.15 1 262 . 36 LYS H H 7.999 0.02 1 263 . 36 LYS HA H 4.135 0.02 1 264 . 36 LYS HB2 H 1.800 0.02 1 265 . 36 LYS HB3 H 1.800 0.02 1 266 . 36 LYS C C 176.916 0.15 1 267 . 36 LYS CA C 57.270 0.15 1 268 . 36 LYS CB C 32.567 0.15 1 269 . 36 LYS N N 119.944 0.15 1 270 . 37 ALA H H 7.828 0.02 1 271 . 37 ALA HA H 4.193 0.02 1 272 . 37 ALA HB H 1.348 0.02 1 273 . 37 ALA C C 177.661 0.15 1 274 . 37 ALA CA C 52.738 0.15 1 275 . 37 ALA CB C 18.858 0.15 1 276 . 37 ALA N N 122.420 0.15 1 277 . 38 ARG H H 7.896 0.02 1 278 . 38 ARG HA H 4.138 0.02 1 279 . 38 ARG HB2 H 1.626 0.02 1 280 . 38 ARG HB3 H 1.626 0.02 1 281 . 38 ARG C C 175.712 0.15 1 282 . 38 ARG CA C 56.344 0.15 1 283 . 38 ARG CB C 30.904 0.15 1 284 . 38 ARG N N 118.809 0.15 1 285 . 39 TYR H H 7.973 0.02 1 286 . 39 TYR HA H 4.857 0.02 1 287 . 39 TYR HB2 H 3.030 0.02 1 288 . 39 TYR HB3 H 2.831 0.02 1 289 . 39 TYR C C 173.740 0.15 1 290 . 39 TYR CA C 55.332 0.15 1 291 . 39 TYR CB C 38.190 0.15 1 292 . 39 TYR N N 120.163 0.15 1 293 . 40 PRO HA H 4.554 0.02 1 294 . 40 PRO HB2 H 2.601 0.02 1 295 . 40 PRO HB3 H 2.601 0.02 1 296 . 40 PRO C C 176.818 0.15 1 297 . 40 PRO CA C 63.309 0.15 1 298 . 40 PRO CB C 31.982 0.15 1 299 . 41 HIS H H 8.583 0.02 1 300 . 41 HIS HA H 4.709 0.02 1 301 . 41 HIS HB2 H 3.265 0.02 1 302 . 41 HIS HB3 H 3.172 0.02 1 303 . 41 HIS C C 174.495 0.15 1 304 . 41 HIS CA C 55.034 0.15 1 305 . 41 HIS CB C 28.650 0.15 1 306 . 41 HIS N N 118.150 0.15 1 307 . 42 LEU H H 8.288 0.02 1 308 . 42 LEU HA H 4.326 0.02 1 309 . 42 LEU HB2 H 1.655 0.02 1 310 . 42 LEU HB3 H 1.594 0.02 1 311 . 42 LEU C C 177.759 0.15 1 312 . 42 LEU CA C 55.438 0.15 1 313 . 42 LEU CB C 42.227 0.15 1 314 . 42 LEU N N 123.686 0.15 1 315 . 43 GLY H H 8.549 0.02 1 316 . 43 GLY HA2 H 3.924 0.02 1 317 . 43 GLY HA3 H 3.924 0.02 1 318 . 43 GLY C C 173.930 0.15 1 319 . 43 GLY CA C 45.231 0.15 1 320 . 43 GLY N N 110.093 0.15 1 321 . 44 GLN H H 8.153 0.02 1 322 . 44 GLN HA H 4.329 0.02 1 323 . 44 GLN HB2 H 2.061 0.02 1 324 . 44 GLN HB3 H 1.943 0.02 1 325 . 44 GLN C C 175.805 0.15 1 326 . 44 GLN CA C 55.523 0.15 1 327 . 44 GLN CB C 29.769 0.15 1 328 . 44 GLN N N 119.655 0.15 1 329 . 45 LYS H H 8.463 0.02 1 330 . 45 LYS HA H 4.542 0.02 1 331 . 45 LYS C C 174.561 0.15 1 332 . 45 LYS CA C 54.273 0.15 1 333 . 45 LYS CB C 32.318 0.15 1 334 . 45 LYS N N 124.303 0.15 1 335 . 46 PRO HA H 4.367 0.02 1 336 . 46 PRO HB2 H 2.253 0.02 1 337 . 46 PRO HB3 H 1.888 0.02 1 338 . 46 PRO C C 177.453 0.15 1 339 . 46 PRO CA C 63.350 0.15 1 340 . 46 PRO CB C 32.036 0.15 1 341 . 47 GLY H H 8.503 0.02 1 342 . 47 GLY HA2 H 3.956 0.02 1 343 . 47 GLY HA3 H 3.956 0.02 1 344 . 47 GLY C C 174.804 0.15 1 345 . 47 GLY CA C 45.202 0.15 1 346 . 47 GLY N N 109.801 0.15 1 347 . 48 GLY H H 8.323 0.15 1 348 . 48 GLY HA2 H 4.010 0.15 1 349 . 48 GLY HA3 H 4.010 0.15 1 350 . 48 GLY C C 174.551 0.15 1 351 . 48 GLY CA C 45.319 0.15 1 352 . 48 GLY N N 108.680 0.15 1 353 . 49 SER H H 8.364 0.02 1 354 . 49 SER HA H 4.407 0.02 1 355 . 49 SER HB2 H 3.860 0.02 1 356 . 49 SER HB3 H 3.795 0.02 1 357 . 49 SER C C 174.818 0.15 1 358 . 49 SER CA C 58.699 0.15 1 359 . 49 SER CB C 63.682 0.15 1 360 . 49 SER N N 115.494 0.15 1 361 . 50 ASP H H 8.471 0.02 1 362 . 50 ASP HA H 4.520 0.02 1 363 . 50 ASP HB2 H 2.604 0.02 1 364 . 50 ASP HB3 H 2.604 0.02 1 365 . 50 ASP C C 176.555 0.15 1 366 . 50 ASP CA C 54.983 0.15 1 367 . 50 ASP CB C 40.644 0.15 1 368 . 50 ASP N N 122.385 0.15 1 369 . 51 PHE H H 8.035 0.02 1 370 . 51 PHE HA H 4.417 0.02 1 371 . 51 PHE HB2 H 3.084 0.02 1 372 . 51 PHE HB3 H 3.084 0.02 1 373 . 51 PHE C C 176.307 0.15 1 374 . 51 PHE CA C 58.863 0.15 1 375 . 51 PHE CB C 39.055 0.15 1 376 . 51 PHE N N 119.769 0.15 1 377 . 52 LEU H H 7.940 0.02 1 378 . 52 LEU HA H 4.135 0.02 1 379 . 52 LEU HB2 H 1.629 0.02 1 380 . 52 LEU C C 177.707 0.15 1 381 . 52 LEU CA C 55.900 0.15 1 382 . 52 LEU CB C 41.954 0.15 1 383 . 52 LEU N N 121.385 0.15 1 384 . 53 ARG H H 7.997 0.02 1 385 . 53 ARG HA H 4.160 0.02 1 386 . 53 ARG HB2 H 1.802 0.02 1 387 . 53 ARG HB3 H 1.605 0.02 1 388 . 53 ARG C C 176.872 0.15 1 389 . 53 ARG CA C 56.993 0.15 1 390 . 53 ARG CB C 30.330 0.15 1 391 . 53 ARG N N 120.281 0.15 1 392 . 54 LYS H H 8.071 0.02 1 393 . 54 LYS HA H 4.192 0.02 1 394 . 54 LYS HB2 H 1.756 0.02 1 395 . 54 LYS HB3 H 1.756 0.02 1 396 . 54 LYS C C 176.889 0.15 1 397 . 54 LYS CA C 56.907 0.15 1 398 . 54 LYS CB C 32.817 0.15 1 399 . 54 LYS N N 120.886 0.15 1 400 . 55 ARG H H 8.137 0.02 1 401 . 55 ARG HA H 4.271 0.02 1 402 . 55 ARG HB2 H 2.009 0.02 1 403 . 55 ARG HB3 H 1.878 0.02 1 404 . 55 ARG C C 176.461 0.15 1 405 . 55 ARG CA C 56.460 0.15 1 406 . 55 ARG CB C 30.536 0.15 1 407 . 55 ARG N N 121.200 0.15 1 408 . 56 LEU H H 8.158 0.02 1 409 . 56 LEU HA H 4.282 0.02 1 410 . 56 LEU HB2 H 1.633 0.02 1 411 . 56 LEU HB3 H 1.534 0.02 1 412 . 56 LEU C C 177.426 0.15 1 413 . 56 LEU CA C 55.240 0.15 1 414 . 56 LEU CB C 42.219 0.15 1 415 . 56 LEU N N 122.582 0.15 1 416 . 57 GLN H H 8.257 0.02 1 417 . 57 GLN HA H 4.284 0.02 1 418 . 57 GLN HB2 H 2.064 0.02 1 419 . 57 GLN HB3 H 1.942 0.02 1 420 . 57 GLN C C 175.972 0.15 1 421 . 57 GLN CA C 55.693 0.15 1 422 . 57 GLN CB C 29.487 0.15 1 423 . 57 GLN N N 120.923 0.15 1 424 . 58 LYS H H 8.348 0.02 1 425 . 58 LYS HA H 4.212 0.02 1 426 . 58 LYS HB2 H 1.779 0.02 1 427 . 58 LYS HB3 H 1.779 0.02 1 428 . 58 LYS C C 177.180 0.15 1 429 . 58 LYS CA C 56.844 0.15 1 430 . 58 LYS CB C 32.776 0.15 1 431 . 58 LYS N N 122.469 0.15 1 432 . 59 GLY H H 8.495 0.02 1 433 . 59 GLY HA2 H 3.992 0.02 1 434 . 59 GLY HA3 H 3.992 0.02 1 435 . 59 GLY C C 174.088 0.15 1 436 . 59 GLY CA C 45.299 0.15 1 437 . 59 GLY N N 110.424 0.15 1 438 . 60 GLN H H 8.126 0.02 1 439 . 60 GLN HA H 4.253 0.02 1 440 . 60 GLN HB2 H 1.979 0.02 1 441 . 60 GLN HB3 H 1.979 0.02 1 442 . 60 GLN C C 175.772 0.15 1 443 . 60 GLN CA C 55.800 0.15 1 444 . 60 GLN CB C 29.621 0.15 1 445 . 60 GLN N N 119.887 0.15 1 446 . 61 LYS H H 8.331 0.15 1 447 . 61 LYS HA H 4.207 0.02 1 448 . 61 LYS HB2 H 1.600 0.02 1 449 . 61 LYS HB3 H 1.600 0.02 1 450 . 61 LYS C C 175.975 0.15 1 451 . 61 LYS CA C 56.343 0.15 1 452 . 61 LYS CB C 33.069 0.15 1 453 . 61 LYS N N 122.139 0.15 1 454 . 62 TYR H H 8.095 0.02 1 455 . 62 TYR HA H 4.196 0.02 1 456 . 62 TYR HB2 H 2.923 0.02 1 457 . 62 TYR HB3 H 2.841 0.02 1 458 . 62 TYR C C 175.279 0.15 1 459 . 62 TYR CA C 57.772 0.15 1 460 . 62 TYR CB C 39.047 0.15 1 461 . 62 TYR N N 120.591 0.15 1 462 . 63 PHE H H 8.084 0.02 1 463 . 63 PHE HA H 4.504 0.02 1 464 . 63 PHE HB2 H 3.044 0.02 1 465 . 63 PHE HB3 H 2.931 0.02 1 466 . 63 PHE C C 174.865 0.15 1 467 . 63 PHE CA C 57.608 0.15 1 468 . 63 PHE CB C 39.853 0.15 1 469 . 63 PHE N N 121.719 0.15 1 470 . 64 ASP H H 8.263 0.02 1 471 . 64 ASP HA H 4.596 0.02 1 472 . 64 ASP HB2 H 2.707 0.02 1 473 . 64 ASP HB3 H 2.610 0.02 1 474 . 64 ASP C C 175.993 0.15 1 475 . 64 ASP CA C 53.725 0.15 1 476 . 64 ASP CB C 41.210 0.15 1 477 . 64 ASP N N 122.360 0.15 1 478 . 65 SER H H 8.271 0.02 1 479 . 65 SER HA H 4.329 0.02 1 480 . 65 SER HB2 H 3.953 0.02 1 481 . 65 SER HB3 H 3.852 0.02 1 482 . 65 SER C C 175.304 0.15 1 483 . 65 SER CA C 58.930 0.15 1 484 . 65 SER CB C 63.654 0.15 1 485 . 65 SER N N 117.046 0.15 1 486 . 66 GLY H H 8.475 0.02 1 487 . 66 GLY HA2 H 3.900 0.02 1 488 . 66 GLY HA3 H 3.900 0.02 1 489 . 66 GLY C C 174.116 0.15 1 490 . 66 GLY CA C 45.649 0.15 1 491 . 66 GLY N N 110.598 0.15 1 492 . 67 ASP H H 8.089 0.02 1 493 . 67 ASP HA H 4.552 0.02 1 494 . 67 ASP HB2 H 2.639 0.02 1 495 . 67 ASP HB3 H 2.558 0.02 1 496 . 67 ASP C C 176.401 0.15 1 497 . 67 ASP CA C 54.336 0.15 1 498 . 67 ASP CB C 40.685 0.15 1 499 . 67 ASP N N 120.169 0.15 1 500 . 68 TYR H H 8.098 0.02 1 501 . 68 TYR HA H 4.398 0.02 1 502 . 68 TYR HB2 H 2.993 0.02 1 503 . 68 TYR HB3 H 2.993 0.02 1 504 . 68 TYR C C 176.026 0.15 1 505 . 68 TYR CA C 58.714 0.15 1 506 . 68 TYR CB C 38.395 0.15 1 507 . 68 TYR N N 121.066 0.15 1 508 . 69 ASN H H 8.241 0.02 1 509 . 69 ASN HA H 4.541 0.02 1 510 . 69 ASN HB2 H 2.746 0.02 1 511 . 69 ASN HB3 H 2.746 0.02 1 512 . 69 ASN C C 175.917 0.15 1 513 . 69 ASN CA C 53.800 0.15 1 514 . 69 ASN CB C 38.470 0.15 1 515 . 69 ASN N N 119.524 0.15 1 516 . 70 MET H H 8.182 0.02 1 517 . 70 MET HA H 4.312 0.02 1 518 . 70 MET HB2 H 2.061 0.02 1 519 . 70 MET HB3 H 2.061 0.02 1 520 . 70 MET C C 176.640 0.15 1 521 . 70 MET CA C 56.403 0.15 1 522 . 70 MET CB C 32.316 0.15 1 523 . 70 MET N N 120.731 0.15 1 524 . 71 ALA H H 8.123 0.02 1 525 . 71 ALA HA H 4.193 0.02 1 526 . 71 ALA HB H 1.384 0.02 1 527 . 71 ALA C C 178.663 0.15 1 528 . 71 ALA CA C 53.425 0.15 1 529 . 71 ALA CB C 18.616 0.15 1 530 . 71 ALA N N 123.638 0.15 1 531 . 72 LYS H H 8.050 0.02 1 532 . 72 LYS HA H 4.155 0.02 1 533 . 72 LYS HB2 H 1.800 0.02 1 534 . 72 LYS HB3 H 1.717 0.02 1 535 . 72 LYS C C 177.179 0.15 1 536 . 72 LYS CA C 56.958 0.15 1 537 . 72 LYS CB C 32.592 0.15 1 538 . 72 LYS N N 119.230 0.15 1 539 . 73 ALA H H 8.023 0.02 1 540 . 73 ALA HA H 4.208 0.02 1 541 . 73 ALA HB H 1.399 0.02 1 542 . 73 ALA C C 178.214 0.15 1 543 . 73 ALA CA C 53.065 0.15 1 544 . 73 ALA CB C 18.944 0.15 1 545 . 73 ALA N N 123.496 0.15 1 546 . 74 LYS H H 8.082 0.02 1 547 . 74 LYS HA H 3.901 0.02 1 548 . 74 LYS HB2 H 1.842 0.02 1 549 . 74 LYS HB3 H 1.771 0.02 1 550 . 74 LYS C C 176.958 0.15 1 551 . 74 LYS CA C 56.655 0.15 1 552 . 74 LYS CB C 32.755 0.15 1 553 . 74 LYS N N 119.183 0.15 1 554 . 75 MET H H 8.092 0.02 1 555 . 75 MET HA H 4.406 0.02 1 556 . 75 MET HB2 H 2.060 0.02 1 557 . 75 MET HB3 H 2.060 0.02 1 558 . 75 MET C C 176.346 0.15 1 559 . 75 MET CA C 55.684 0.15 1 560 . 75 MET CB C 32.730 0.15 1 561 . 75 MET N N 120.401 0.15 1 562 . 76 LYS H H 8.246 0.02 1 563 . 76 LYS HA H 4.377 0.02 1 564 . 76 LYS HB2 H 2.326 0.02 1 565 . 76 LYS HB3 H 1.903 0.02 1 566 . 76 LYS C C 176.368 0.15 1 567 . 76 LYS CA C 56.582 0.15 1 568 . 76 LYS CB C 32.811 0.15 1 569 . 76 LYS N N 122.153 0.15 1 570 . 77 ASN H H 8.370 0.02 1 571 . 77 ASN HA H 4.641 0.02 1 572 . 77 ASN HB2 H 2.052 0.02 1 573 . 77 ASN HB3 H 1.938 0.02 1 574 . 77 ASN C C 175.145 0.15 1 575 . 77 ASN CA C 53.283 0.15 1 576 . 77 ASN CB C 38.776 0.15 1 577 . 77 ASN N N 119.418 0.15 1 578 . 78 LYS H H 8.265 0.02 1 579 . 78 LYS HA H 4.259 0.02 1 580 . 78 LYS HB2 H 1.829 0.02 1 581 . 78 LYS HB3 H 1.738 0.02 1 582 . 78 LYS C C 176.204 0.15 1 583 . 78 LYS CA C 56.303 0.15 1 584 . 78 LYS CB C 32.752 0.15 1 585 . 78 LYS N N 121.666 0.15 1 586 . 79 GLN H H 8.335 0.02 1 587 . 79 GLN HA H 4.308 0.02 1 588 . 79 GLN HB2 H 2.051 0.02 1 589 . 79 GLN HB3 H 1.955 0.02 1 590 . 79 GLN C C 175.587 0.15 1 591 . 79 GLN CA C 55.482 0.15 1 592 . 79 GLN CB C 29.508 0.15 1 593 . 79 GLN N N 121.371 0.15 1 594 . 80 LEU H H 8.303 0.02 1 595 . 80 LEU HA H 4.581 0.02 1 596 . 80 LEU HB2 H 1.574 0.02 1 597 . 80 LEU HB3 H 1.574 0.02 1 598 . 80 LEU C C 175.149 0.15 1 599 . 80 LEU CA C 53.001 0.15 1 600 . 80 LEU CB C 41.542 0.15 1 601 . 80 LEU N N 125.371 0.15 1 602 . 81 PRO HA H 4.379 0.02 1 603 . 81 PRO HB2 H 2.278 0.02 1 604 . 81 PRO HB3 H 1.887 0.02 1 605 . 81 PRO C C 176.493 0.15 1 606 . 81 PRO CA C 62.921 0.15 1 607 . 81 PRO CB C 31.855 0.15 1 608 . 82 ALA H H 8.324 0.02 1 609 . 82 ALA HA H 4.243 0.02 1 610 . 82 ALA HB H 1.359 0.02 1 611 . 82 ALA C C 177.338 0.15 1 612 . 82 ALA CA C 52.186 0.15 1 613 . 82 ALA CB C 19.070 0.15 1 614 . 82 ALA N N 124.294 0.15 1 615 . 83 ALA H H 8.231 0.02 1 616 . 83 ALA HA H 4.271 0.02 1 617 . 83 ALA HB H 1.342 0.02 1 618 . 83 ALA C C 176.992 0.15 1 619 . 83 ALA CA C 51.973 0.15 1 620 . 83 ALA CB C 19.358 0.15 1 621 . 83 ALA N N 123.544 0.15 1 622 . 84 ALA H H 8.286 0.02 1 623 . 84 ALA HA H 4.573 0.02 1 624 . 84 ALA HB H 1.341 0.02 1 625 . 84 ALA C C 176.877 0.15 1 626 . 84 ALA CA C 50.330 0.15 1 627 . 84 ALA CB C 18.219 0.15 1 628 . 84 ALA N N 124.858 0.15 1 629 . 85 PRO HA H 4.390 0.02 1 630 . 85 PRO HB2 H 2.269 0.02 1 631 . 85 PRO HB3 H 1.890 0.02 1 632 . 85 PRO C C 176.621 0.15 1 633 . 85 PRO CA C 63.131 0.15 1 634 . 85 PRO CB C 31.984 0.15 1 635 . 86 ASP H H 8.405 0.02 1 636 . 86 ASP HA H 4.551 0.02 1 637 . 86 ASP HB2 H 2.675 0.02 1 638 . 86 ASP HB3 H 2.675 0.02 1 639 . 86 ASP C C 176.266 0.15 1 640 . 86 ASP CA C 54.053 0.15 1 641 . 86 ASP CB C 40.804 0.15 1 642 . 86 ASP N N 120.029 0.15 1 643 . 87 LYS H H 8.291 0.02 1 644 . 87 LYS HA H 4.366 0.02 1 645 . 87 LYS HB2 H 1.874 0.02 1 646 . 87 LYS HB3 H 1.766 0.02 1 647 . 87 LYS C C 176.679 0.15 1 648 . 87 LYS CA C 56.287 0.15 1 649 . 87 LYS CB C 32.787 0.15 1 650 . 87 LYS N N 121.808 0.15 1 651 . 88 THR H H 8.228 0.02 1 652 . 88 THR HA H 4.268 0.02 1 653 . 88 THR HB H 4.168 0.02 1 654 . 88 THR C C 174.555 0.15 1 655 . 88 THR CA C 62.292 0.15 1 656 . 88 THR CB C 69.647 0.15 1 657 . 88 THR N N 115.435 0.15 1 658 . 89 GLU H H 8.379 0.02 1 659 . 89 GLU HA H 4.361 0.02 1 660 . 89 GLU HB2 H 2.823 0.02 1 661 . 89 GLU HB3 H 2.746 0.02 1 662 . 89 GLU C C 176.211 0.15 1 663 . 89 GLU CA C 56.167 0.15 1 664 . 89 GLU CB C 29.903 0.15 1 665 . 89 GLU N N 123.390 0.15 1 666 . 90 VAL H H 8.264 0.02 1 667 . 90 VAL HA H 4.183 0.02 1 668 . 90 VAL HB H 2.090 0.02 1 669 . 90 VAL C C 176.408 0.15 1 670 . 90 VAL CA C 62.287 0.15 1 671 . 90 VAL CB C 32.605 0.15 1 672 . 90 VAL N N 121.623 0.15 1 673 . 91 THR H H 8.227 0.02 1 674 . 91 THR HA H 4.369 0.02 1 675 . 91 THR HB H 4.222 0.02 1 676 . 91 THR C C 175.055 0.15 1 677 . 91 THR CA C 61.816 0.15 1 678 . 91 THR CB C 69.758 0.15 1 679 . 91 THR N N 117.524 0.15 1 680 . 92 GLY H H 8.385 0.02 1 681 . 92 GLY HA2 H 3.955 0.02 1 682 . 92 GLY HA3 H 3.955 0.02 1 683 . 92 GLY C C 173.756 0.15 1 684 . 92 GLY CA C 45.294 0.15 1 685 . 92 GLY N N 110.815 0.15 1 686 . 93 ASP H H 8.239 0.02 1 687 . 93 ASP HA H 4.554 0.02 1 688 . 93 ASP HB2 H 2.600 0.02 1 689 . 93 ASP HB3 H 2.600 0.02 1 690 . 93 ASP C C 175.808 0.15 1 691 . 93 ASP CA C 54.045 0.15 1 692 . 93 ASP CB C 40.690 0.15 1 693 . 93 ASP N N 119.750 0.15 1 694 . 94 HIS H H 8.409 0.02 1 695 . 94 HIS HA H 4.659 0.02 1 696 . 94 HIS HB2 H 3.218 0.02 1 697 . 94 HIS HB3 H 3.148 0.02 1 698 . 94 HIS C C 173.969 0.15 1 699 . 94 HIS CA C 55.123 0.15 1 700 . 94 HIS CB C 28.758 0.15 1 701 . 94 HIS N N 118.300 0.15 1 702 . 95 ILE H H 8.247 0.02 1 703 . 95 ILE HA H 4.407 0.02 1 704 . 95 ILE C C 174.514 0.15 1 705 . 95 ILE CA C 58.695 0.15 1 706 . 95 ILE CB C 38.387 0.15 1 707 . 95 ILE N N 124.607 0.15 1 708 . 96 PRO HA H 4.472 0.02 1 709 . 96 PRO HB2 H 2.285 0.02 1 710 . 96 PRO HB3 H 1.874 0.02 1 711 . 96 PRO C C 176.649 0.15 1 712 . 96 PRO CA C 63.077 0.15 1 713 . 96 PRO CB C 32.069 0.15 1 714 . 97 THR H H 8.378 0.02 1 715 . 97 THR HA H 4.609 0.02 1 716 . 97 THR HB H 4.193 0.02 1 717 . 97 THR C C 173.414 0.15 1 718 . 97 THR CA C 59.801 0.15 1 719 . 97 THR CB C 69.636 0.15 1 720 . 97 THR N N 116.983 0.15 1 721 . 98 PRO HA H 4.250 0.02 1 722 . 98 PRO HB2 H 1.780 0.02 1 723 . 98 PRO HB3 H 1.780 0.02 1 724 . 98 PRO C C 177.088 0.15 1 725 . 98 PRO CA C 63.606 0.15 1 726 . 98 PRO CB C 31.790 0.15 1 727 . 99 GLN H H 8.370 0.02 1 728 . 99 GLN HA H 4.267 0.02 1 729 . 99 GLN HB2 H 2.083 0.02 1 730 . 99 GLN HB3 H 1.946 0.02 1 731 . 99 GLN C C 175.679 0.15 1 732 . 99 GLN CA C 56.069 0.15 1 733 . 99 GLN CB C 29.471 0.15 1 734 . 99 GLN N N 119.418 0.15 1 735 . 100 ASP H H 8.243 0.02 1 736 . 100 ASP HA H 4.593 0.02 1 737 . 100 ASP HB2 H 2.702 0.02 1 738 . 100 ASP HB3 H 2.629 0.02 1 739 . 100 ASP C C 175.622 0.15 1 740 . 100 ASP CA C 54.045 0.15 1 741 . 100 ASP CB C 40.692 0.15 1 742 . 100 ASP N N 120.920 0.15 1 743 . 101 LEU H H 8.049 0.02 1 744 . 101 LEU HA H 4.564 0.02 1 745 . 101 LEU HB2 H 1.559 0.02 1 746 . 101 LEU HB3 H 1.559 0.02 1 747 . 101 LEU C C 175.241 0.15 1 748 . 101 LEU CA C 53.230 0.15 1 749 . 101 LEU CB C 41.705 0.15 1 750 . 101 LEU N N 123.310 0.15 1 751 . 102 PRO HA H 4.382 0.02 1 752 . 102 PRO HB2 H 2.279 0.02 1 753 . 102 PRO HB3 H 1.853 0.02 1 754 . 102 PRO C C 176.962 0.15 1 755 . 102 PRO CA C 63.212 0.15 1 756 . 102 PRO CB C 31.807 0.15 1 757 . 103 GLN H H 8.442 0.02 1 758 . 103 GLN HA H 4.282 0.02 1 759 . 103 GLN HB2 H 2.064 0.02 1 760 . 103 GLN HB3 H 1.944 0.02 1 761 . 103 GLN C C 175.985 0.15 1 762 . 103 GLN CA C 55.685 0.15 1 763 . 103 GLN CB C 29.515 0.15 1 764 . 103 GLN N N 120.240 0.15 1 765 . 104 ARG H H 8.352 0.02 1 766 . 104 ARG HA H 4.304 0.02 1 767 . 104 ARG HB2 H 1.799 0.02 1 768 . 104 ARG HB3 H 1.732 0.02 1 769 . 104 ARG C C 175.965 0.15 1 770 . 104 ARG CA C 55.806 0.15 1 771 . 104 ARG CB C 30.774 0.15 1 772 . 104 ARG N N 122.671 0.15 1 773 . 105 LYS H H 8.415 0.02 1 774 . 105 LYS HA H 4.578 0.02 1 775 . 105 LYS C C 174.515 0.15 1 776 . 105 LYS CA C 54.204 0.15 1 777 . 105 LYS CB C 32.324 0.15 1 778 . 105 LYS N N 124.387 0.15 1 779 . 106 PRO HA H 4.408 0.02 1 780 . 106 PRO HB2 H 2.295 0.02 1 781 . 106 PRO HB3 H 1.889 0.02 1 782 . 106 PRO C C 176.839 0.15 1 783 . 106 PRO CA C 63.130 0.15 1 784 . 106 PRO CB C 32.059 0.15 1 785 . 107 SER H H 8.401 0.02 1 786 . 107 SER HA H 4.409 0.02 1 787 . 107 SER HB2 H 3.841 0.02 1 788 . 107 SER HB3 H 3.841 0.02 1 789 . 107 SER C C 174.496 0.15 1 790 . 107 SER CA C 58.130 0.15 1 791 . 107 SER CB C 63.674 0.15 1 792 . 107 SER N N 116.160 0.15 1 793 . 108 LEU H H 8.333 0.02 1 794 . 108 LEU HA H 4.378 0.02 1 795 . 108 LEU HB2 H 1.607 0.02 1 796 . 108 LEU HB3 H 1.607 0.02 1 797 . 108 LEU C C 177.274 0.15 1 798 . 108 LEU CA C 55.255 0.15 1 799 . 108 LEU CB C 42.313 0.15 1 800 . 108 LEU N N 127.667 0.15 1 801 . 109 VAL H H 8.068 0.02 1 802 . 109 VAL HA H 4.058 0.02 1 803 . 109 VAL HB H 2.029 0.02 1 804 . 109 VAL C C 175.871 0.15 1 805 . 109 VAL CA C 62.178 0.15 1 806 . 109 VAL CB C 32.760 0.15 1 807 . 109 VAL N N 121.100 0.15 1 808 . 110 ALA H H 8.369 0.02 1 809 . 110 ALA HA H 4.304 0.02 1 810 . 110 ALA HB H 1.380 0.02 1 811 . 110 ALA C C 177.742 0.15 1 812 . 110 ALA CA C 52.524 0.15 1 813 . 110 ALA CB C 19.111 0.15 1 814 . 110 ALA N N 128.047 0.15 1 815 . 111 SER H H 8.245 0.02 1 816 . 111 SER HA H 4.381 0.02 1 817 . 111 SER HB2 H 3.849 0.02 1 818 . 111 SER HB3 H 3.849 0.02 1 819 . 111 SER C C 174.535 0.15 1 820 . 111 SER CA C 58.337 0.15 1 821 . 111 SER CB C 63.560 0.15 1 822 . 111 SER N N 115.295 0.15 1 823 . 112 LYS H H 8.317 0.02 1 824 . 112 LYS HA H 4.329 0.02 1 825 . 112 LYS HB2 H 1.843 0.02 1 826 . 112 LYS HB3 H 1.735 0.02 1 827 . 112 LYS C C 176.420 0.15 1 828 . 112 LYS CA C 56.239 0.15 1 829 . 112 LYS CB C 32.835 0.15 1 830 . 112 LYS N N 123.215 0.15 1 831 . 113 LEU H H 8.218 0.02 1 832 . 113 LEU HA H 4.316 0.02 1 833 . 113 LEU HB2 H 1.603 0.02 1 834 . 113 LEU HB3 H 1.603 0.02 1 835 . 113 LEU C C 176.970 0.15 1 836 . 113 LEU CA C 55.143 0.15 1 837 . 113 LEU CB C 42.255 0.15 1 838 . 113 LEU N N 123.402 0.15 1 839 . 114 ALA H H 8.222 0.02 1 840 . 114 ALA HA H 4.329 0.02 1 841 . 114 ALA HB H 1.380 0.02 1 842 . 114 ALA C C 176.948 0.15 1 843 . 114 ALA CA C 52.300 0.15 1 844 . 114 ALA CB C 19.398 0.15 1 845 . 114 ALA N N 124.907 0.15 1 846 . 115 GLY H H 7.888 0.02 1 847 . 115 GLY HA2 H 3.730 0.02 1 848 . 115 GLY HA3 H 3.730 0.02 1 849 . 115 GLY C C 178.835 0.15 1 850 . 115 GLY CA C 45.940 0.15 1 851 . 115 GLY N N 114.129 0.15 1 stop_ save_