data_6181 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance Assignments for the Endosomal Adaptor Protein P14 ; _BMRB_accession_number 6181 _BMRB_flat_file_name bmr6181.str _Entry_type original _Submission_date 2004-04-06 _Accession_date 2004-04-19 _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 Qian Chengmin . . 2 Zeng Lei . . 3 Farooq Amjad . . 4 Zhou Ming-Ming . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 515 "13C chemical shifts" 347 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-12-16 original author . stop_ _Original_release_date 2004-12-16 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Letter to the Editor: Resonance Assignments for the Endosomal Adaptor Protein P14' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qian Chengmin . . 2 Zeng Lei . . 3 Farooq Amjad . . 4 Zhou Ming-Ming . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 30 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 367 _Page_last 368 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_P14 _Saveframe_category molecular_system _Mol_system_name 'endosomal adaptor protein P14' _Abbreviation_common P14 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'endosomal adaptor protein P14' $P14 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_P14 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common P14 _Abbreviation_common P14 _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; MLRPKALTQVLSQANTGGVQ STLLLNNEGSLLAYSGYGDT DARVTAAIASNIWAAYDRNG NQAFNEDSLKFILMDCMEGR VAITRVANLLLCMYAKETVG FGMLKAKAQALVQYLEEPLT QVAAS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 LEU 3 3 ARG 4 4 PRO 5 5 LYS 6 6 ALA 7 7 LEU 8 8 THR 9 9 GLN 10 10 VAL 11 11 LEU 12 12 SER 13 13 GLN 14 14 ALA 15 15 ASN 16 16 THR 17 17 GLY 18 18 GLY 19 19 VAL 20 20 GLN 21 21 SER 22 22 THR 23 23 LEU 24 24 LEU 25 25 LEU 26 26 ASN 27 27 ASN 28 28 GLU 29 29 GLY 30 30 SER 31 31 LEU 32 32 LEU 33 33 ALA 34 34 TYR 35 35 SER 36 36 GLY 37 37 TYR 38 38 GLY 39 39 ASP 40 40 THR 41 41 ASP 42 42 ALA 43 43 ARG 44 44 VAL 45 45 THR 46 46 ALA 47 47 ALA 48 48 ILE 49 49 ALA 50 50 SER 51 51 ASN 52 52 ILE 53 53 TRP 54 54 ALA 55 55 ALA 56 56 TYR 57 57 ASP 58 58 ARG 59 59 ASN 60 60 GLY 61 61 ASN 62 62 GLN 63 63 ALA 64 64 PHE 65 65 ASN 66 66 GLU 67 67 ASP 68 68 SER 69 69 LEU 70 70 LYS 71 71 PHE 72 72 ILE 73 73 LEU 74 74 MET 75 75 ASP 76 76 CYS 77 77 MET 78 78 GLU 79 79 GLY 80 80 ARG 81 81 VAL 82 82 ALA 83 83 ILE 84 84 THR 85 85 ARG 86 86 VAL 87 87 ALA 88 88 ASN 89 89 LEU 90 90 LEU 91 91 LEU 92 92 CYS 93 93 MET 94 94 TYR 95 95 ALA 96 96 LYS 97 97 GLU 98 98 THR 99 99 VAL 100 100 GLY 101 101 PHE 102 102 GLY 103 103 MET 104 104 LEU 105 105 LYS 106 106 ALA 107 107 LYS 108 108 ALA 109 109 GLN 110 110 ALA 111 111 LEU 112 112 VAL 113 113 GLN 114 114 TYR 115 115 LEU 116 116 GLU 117 117 GLU 118 118 PRO 119 119 LEU 120 120 THR 121 121 GLN 122 122 VAL 123 123 ALA 124 124 ALA 125 125 SER 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 1SKO "Mp1-P14 Complex" 98.40 130 100.00 100.00 8.29e-84 PDB 1SZV "Structure Of The Adaptor Protein P14 Reveals A Profilin- Like Fold With Novel Function" 100.00 130 100.00 100.00 2.31e-84 PDB 1VET "Crystal Structure Of P14MP1 AT 1.9 A RESOLUTION" 100.00 125 100.00 100.00 1.16e-84 PDB 2ZL1 "Mp1-P14 Scaffolding Complex" 99.20 131 100.00 100.00 1.56e-84 PDB 3CPT "Mp1-P14 Scaffolding Complex" 99.20 131 99.19 99.19 3.11e-83 DBJ BAB31506 "unnamed protein product [Mus musculus]" 100.00 125 100.00 100.00 1.16e-84 EMBL CAB97177 "late endosomal/lysosomal MP1 interacting protein [Mus musculus]" 100.00 125 100.00 100.00 1.16e-84 GB AAD20965 "HSPC003 [Homo sapiens]" 100.00 125 99.20 100.00 6.18e-84 GB AAH24190 "ROBLD3 protein [Homo sapiens]" 100.00 125 99.20 100.00 6.18e-84 GB AAH31816 "Roadblock domain containing 3 [Mus musculus]" 100.00 125 100.00 100.00 1.16e-84 GB AAI02147 "Roadblock domain containing 3 [Bos taurus]" 100.00 125 99.20 100.00 6.18e-84 GB ABM83891 "mitogen-activated protein-binding protein-interacting protein [synthetic construct]" 100.00 125 98.40 99.20 9.17e-83 REF NP_001029963 "ragulator complex protein LAMTOR2 [Bos taurus]" 100.00 125 99.20 100.00 6.18e-84 REF NP_001099911 "ragulator complex protein LAMTOR2 [Rattus norvegicus]" 100.00 125 100.00 100.00 1.16e-84 REF NP_001230556 "ragulator complex protein LAMTOR2 [Sus scrofa]" 100.00 125 99.20 100.00 6.18e-84 REF NP_001244610 "late endosomal/lysosomal adaptor, MAPK and MTOR activator 2 [Macaca mulatta]" 100.00 125 99.20 100.00 6.18e-84 REF NP_054736 "ragulator complex protein LAMTOR2 isoform 1 [Homo sapiens]" 100.00 125 99.20 100.00 6.18e-84 SP Q3T132 "RecName: Full=Ragulator complex protein LAMTOR2; AltName: Full=Late endosomal/lysosomal adaptor and MAPK and MTOR activator 2 [" 100.00 125 99.20 100.00 6.18e-84 SP Q9JHS3 "RecName: Full=Ragulator complex protein LAMTOR2; AltName: Full=Endosomal adaptor protein p14; AltName: Full=Late endosomal/lyso" 100.00 125 100.00 100.00 1.16e-84 SP Q9Y2Q5 "RecName: Full=Ragulator complex protein LAMTOR2; AltName: Full=Endosomal adaptor protein p14; AltName: Full=Late endosomal/lyso" 100.00 125 99.20 100.00 6.18e-84 TPG DAA31819 "TPA: mitogen-activated protein-binding protein-interacting protein [Bos taurus]" 100.00 125 99.20 100.00 6.18e-84 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $P14 Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $P14 '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 _Isotopic_labeling $P14 . mM . NaPi 50 mM . NaCl 250 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _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 'ionic strength' 0.30 . M pH 6.5 0.1 pH temperature 298 1 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 external indirect . . . 0.251449530 $citation_1 $citation_1 H2O H 1 protons ppm 4.79 internal direct . . . 1.0 $citation_1 $citation_1 DSS N 15 'methyl protons' ppm 0.0 external indirect . . . 0.101329118 $citation_1 $citation_1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'endosomal adaptor protein P14' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.53 0.03 1 2 1 1 MET HB2 H 2.08 0.03 1 3 1 1 MET HG2 H 2.64 0.03 1 4 1 1 MET HG3 H 2.55 0.03 1 5 1 1 MET HE H 2.09 0.03 1 6 1 1 MET CA C 55.68 0.30 1 7 1 1 MET CB C 32.76 0.30 1 8 1 1 MET CG C 32.02 0.30 1 9 1 1 MET CE C 17.02 0.30 1 10 1 1 MET N N 121.32 0.30 1 11 2 2 LEU H H 8.05 0.03 1 12 2 2 LEU HA H 4.45 0.03 1 13 2 2 LEU HB2 H 1.61 0.03 1 14 2 2 LEU CA C 54.63 0.30 1 15 2 2 LEU CB C 41.64 0.30 1 16 2 2 LEU N N 121.84 0.30 1 17 3 3 ARG H H 8.31 0.03 1 18 3 3 ARG HA H 4.67 0.03 1 19 3 3 ARG HB2 H 2.03 0.03 1 20 3 3 ARG HG2 H 1.75 0.03 1 21 3 3 ARG HD2 H 3.28 0.03 1 22 3 3 ARG CA C 54.20 0.30 1 23 3 3 ARG CB C 29.53 0.30 1 24 3 3 ARG CG C 27.21 0.30 1 25 3 3 ARG CD C 43.20 0.30 1 26 3 3 ARG N N 121.26 0.30 1 27 4 4 PRO HA H 4.29 0.03 1 28 4 4 PRO HB2 H 2.39 0.03 1 29 4 4 PRO HB3 H 2.05 0.03 1 30 4 4 PRO HG2 H 2.18 0.03 1 31 4 4 PRO HG3 H 2.07 0.03 1 32 4 4 PRO HD2 H 3.85 0.03 1 33 4 4 PRO CA C 65.37 0.30 1 34 4 4 PRO CB C 31.77 0.30 1 35 4 4 PRO CG C 27.70 0.30 1 36 4 4 PRO CD C 50.68 0.30 1 37 5 5 LYS H H 8.56 0.03 1 38 5 5 LYS HA H 4.19 0.03 1 39 5 5 LYS HB2 H 1.90 0.03 1 40 5 5 LYS HG2 H 1.58 0.03 1 41 5 5 LYS HG3 H 1.49 0.03 1 42 5 5 LYS HD2 H 1.73 0.03 1 43 5 5 LYS HE2 H 3.02 0.03 1 44 5 5 LYS CA C 58.65 0.30 1 45 5 5 LYS CB C 32.36 0.30 1 46 5 5 LYS CG C 25.30 0.30 1 47 5 5 LYS CD C 28.78 0.30 1 48 5 5 LYS CE C 41.97 0.30 1 49 5 5 LYS N N 119.33 0.30 1 50 6 6 ALA H H 7.77 0.03 1 51 6 6 ALA HA H 4.31 0.03 1 52 6 6 ALA HB H 1.55 0.03 1 53 6 6 ALA CA C 53.87 0.30 1 54 6 6 ALA CB C 18.58 0.30 1 55 6 6 ALA N N 122.42 0.30 1 56 7 7 LEU H H 8.15 0.03 1 57 7 7 LEU HA H 4.27 0.03 1 58 7 7 LEU HB2 H 1.89 0.03 1 59 7 7 LEU HB3 H 1.53 0.03 1 60 7 7 LEU HD1 H 0.88 0.03 1 61 7 7 LEU HD2 H 1.01 0.03 1 62 7 7 LEU CA C 57.40 0.30 1 63 7 7 LEU CB C 42.47 0.30 1 64 7 7 LEU CD1 C 25.44 0.30 1 65 7 7 LEU N N 119.14 0.30 1 66 8 8 THR H H 8.17 0.03 1 67 8 8 THR HA H 3.67 0.03 1 68 8 8 THR HB H 4.31 0.03 1 69 8 8 THR HG2 H 1.38 0.03 1 70 8 8 THR CA C 67.11 0.30 1 71 8 8 THR CB C 68.35 0.30 1 72 8 8 THR CG2 C 22.27 0.30 1 73 8 8 THR N N 113.16 0.30 1 74 9 9 GLN H H 7.68 0.03 1 75 9 9 GLN HA H 4.12 0.03 1 76 9 9 GLN HB2 H 2.17 0.03 1 77 9 9 GLN HG2 H 2.42 0.03 1 78 9 9 GLN CA C 58.73 0.30 1 79 9 9 GLN CB C 28.17 0.30 1 80 9 9 GLN CG C 34.00 0.30 1 81 9 9 GLN N N 120.00 0.30 1 82 10 10 VAL H H 7.53 0.03 1 83 10 10 VAL HA H 3.67 0.03 1 84 10 10 VAL HB H 2.13 0.03 1 85 10 10 VAL HG1 H 0.93 0.03 1 86 10 10 VAL HG2 H 0.76 0.03 1 87 10 10 VAL CA C 65.86 0.30 1 88 10 10 VAL CB C 31.77 0.30 1 89 10 10 VAL CG1 C 21.96 0.30 1 90 10 10 VAL CG2 C 21.43 0.30 1 91 10 10 VAL N N 120.30 0.30 1 92 11 11 LEU H H 7.98 0.03 1 93 11 11 LEU HA H 3.89 0.03 1 94 11 11 LEU HB2 H 1.80 0.03 1 95 11 11 LEU HB3 H 1.28 0.03 1 96 11 11 LEU HG H 1.93 0.03 1 97 11 11 LEU HD1 H 0.67 0.03 1 98 11 11 LEU HD2 H 0.63 0.03 1 99 11 11 LEU CA C 57.90 0.30 1 100 11 11 LEU CB C 40.23 0.30 1 101 11 11 LEU CG C 26.18 0.30 1 102 11 11 LEU CD1 C 22.05 0.30 1 103 11 11 LEU CD2 C 25.55 0.30 1 104 11 11 LEU N N 117.60 0.30 1 105 12 12 SER H H 7.86 0.03 1 106 12 12 SER HA H 4.17 0.03 1 107 12 12 SER HB2 H 4.06 0.03 1 108 12 12 SER CA C 60.72 0.30 1 109 12 12 SER CB C 63.38 0.30 1 110 12 12 SER N N 109.88 0.30 1 111 13 13 GLN H H 7.36 0.03 1 112 13 13 GLN HA H 4.07 0.03 1 113 13 13 GLN HB2 H 2.15 0.03 1 114 13 13 GLN HG2 H 2.50 0.03 1 115 13 13 GLN CA C 57.05 0.30 1 116 13 13 GLN CB C 28.53 0.30 1 117 13 13 GLN CG C 34.01 0.30 1 118 13 13 GLN N N 118.95 0.30 1 119 14 14 ALA H H 7.97 0.03 1 120 14 14 ALA HA H 4.27 0.03 1 121 14 14 ALA HB H 1.61 0.03 1 122 14 14 ALA CA C 52.92 0.30 1 123 14 14 ALA CB C 19.87 0.30 1 124 14 14 ALA N N 123.00 0.30 1 125 15 15 ASN H H 7.21 0.03 1 126 15 15 ASN HA H 4.76 0.03 1 127 15 15 ASN HB2 H 2.64 0.03 1 128 15 15 ASN HB3 H 2.81 0.03 1 129 15 15 ASN CA C 53.19 0.30 1 130 15 15 ASN CB C 36.00 0.30 1 131 15 15 ASN N N 118.37 0.30 1 132 16 16 THR H H 8.39 0.03 1 133 16 16 THR HA H 4.81 0.03 1 134 16 16 THR HB H 4.29 0.03 1 135 16 16 THR HG2 H 1.13 0.03 1 136 16 16 THR CA C 59.68 0.30 1 137 16 16 THR CB C 71.63 0.30 1 138 16 16 THR CG2 C 21.20 0.30 1 139 16 16 THR N N 113.16 0.30 1 140 17 17 GLY H H 8.90 0.03 1 141 17 17 GLY HA2 H 3.80 0.03 1 142 17 17 GLY CA C 46.48 0.30 1 143 17 17 GLY N N 108.53 0.30 1 144 18 18 GLY H H 8.56 0.03 1 145 18 18 GLY HA2 H 4.34 0.03 1 146 18 18 GLY HA3 H 3.46 0.03 1 147 18 18 GLY CA C 44.68 0.30 1 148 18 18 GLY N N 106.61 0.30 1 149 19 19 VAL H H 7.20 0.03 1 150 19 19 VAL HA H 3.82 0.03 1 151 19 19 VAL HB H 2.61 0.03 1 152 19 19 VAL HG2 H 1.03 0.03 1 153 19 19 VAL CA C 64.87 0.30 1 154 19 19 VAL CB C 31.52 0.30 1 155 19 19 VAL CG2 C 22.52 0.30 1 156 19 19 VAL N N 122.83 0.30 1 157 20 20 GLN H H 9.32 0.03 1 158 20 20 GLN HA H 3.75 0.03 1 159 20 20 GLN HB2 H 1.88 0.03 1 160 20 20 GLN CA C 56.07 0.30 1 161 20 20 GLN CB C 31.03 0.30 1 162 20 20 GLN N N 126.08 0.30 1 163 21 21 SER HA H 4.83 0.03 1 164 21 21 SER HB2 H 3.69 0.03 1 165 21 21 SER HB3 H 3.50 0.03 1 166 21 21 SER CA C 57.40 0.30 1 167 21 21 SER CB C 66.92 0.30 1 168 22 22 THR H H 8.21 0.03 1 169 22 22 THR HA H 5.10 0.03 1 170 22 22 THR HB H 3.65 0.03 1 171 22 22 THR HG2 H 1.07 0.03 1 172 22 22 THR CA C 63.27 0.30 1 173 22 22 THR CB C 70.34 0.30 1 174 22 22 THR CG2 C 22.81 0.30 1 175 22 22 THR N N 120.11 0.30 1 176 23 23 LEU H H 9.27 0.03 1 177 23 23 LEU HA H 5.08 0.03 1 178 23 23 LEU HB2 H 1.87 0.03 1 179 23 23 LEU HG H 1.93 0.03 1 180 23 23 LEU HD1 H 0.63 0.03 1 181 23 23 LEU CA C 54.41 0.30 1 182 23 23 LEU CB C 44.71 0.30 1 183 23 23 LEU CG C 26.18 0.30 1 184 23 23 LEU CD1 C 25.55 0.30 1 185 23 23 LEU N N 122.42 0.30 1 186 24 24 LEU H H 8.52 0.03 1 187 24 24 LEU HA H 5.66 0.03 1 188 24 24 LEU HB2 H 1.49 0.03 1 189 24 24 LEU HD1 H 0.90 0.03 1 190 24 24 LEU HD2 H 0.90 0.03 1 191 24 24 LEU CA C 52.92 0.30 1 192 24 24 LEU CB C 46.96 0.30 1 193 24 24 LEU CD1 C 25.10 0.30 1 194 24 24 LEU CD2 C 26.04 0.30 1 195 24 24 LEU N N 119.72 0.30 1 196 25 25 LEU H H 9.13 0.03 1 197 25 25 LEU HA H 5.49 0.03 1 198 25 25 LEU HB2 H 1.54 0.03 1 199 25 25 LEU HB3 H 1.76 0.03 1 200 25 25 LEU HD1 H 0.84 0.03 1 201 25 25 LEU HD2 H 1.05 0.03 1 202 25 25 LEU CA C 52.67 0.30 1 203 25 25 LEU CB C 45.95 0.30 1 204 25 25 LEU CD1 C 24.30 0.30 1 205 25 25 LEU CD2 C 26.60 0.30 1 206 25 25 LEU N N 123.96 0.30 1 207 26 26 ASN H H 8.12 0.03 1 208 26 26 ASN HA H 5.10 0.03 1 209 26 26 ASN HB2 H 2.77 0.03 1 210 26 26 ASN HB3 H 3.67 0.03 1 211 26 26 ASN CA C 50.47 0.30 1 212 26 26 ASN CB C 38.48 0.30 1 213 26 26 ASN N N 116.64 0.30 1 214 27 27 ASN H H 8.41 0.03 1 215 27 27 ASN HA H 4.54 0.03 1 216 27 27 ASN HB2 H 2.99 0.03 1 217 27 27 ASN HB3 H 2.87 0.03 1 218 27 27 ASN CA C 55.14 0.30 1 219 27 27 ASN CB C 37.99 0.30 1 220 27 27 ASN N N 113.16 0.30 1 221 28 28 GLU H H 7.41 0.03 1 222 28 28 GLU HA H 4.29 0.03 1 223 28 28 GLU HB2 H 2.08 0.03 1 224 28 28 GLU CA C 54.87 0.30 1 225 28 28 GLU CB C 29.52 0.30 1 226 28 28 GLU N N 115.86 0.30 1 227 29 29 GLY H H 7.38 0.03 1 228 29 29 GLY HA2 H 4.28 0.03 1 229 29 29 GLY CA C 44.31 0.30 1 230 29 29 GLY N N 109.49 0.30 1 231 30 30 SER H H 7.63 0.03 1 232 30 30 SER HA H 4.21 0.03 1 233 30 30 SER HB2 H 3.50 0.03 1 234 30 30 SER HB3 H 3.63 0.03 1 235 30 30 SER CA C 57.93 0.30 1 236 30 30 SER CB C 62.91 0.30 1 237 30 30 SER N N 115.86 0.30 1 238 31 31 LEU H H 8.51 0.03 1 239 31 31 LEU HA H 4.38 0.03 1 240 31 31 LEU HB2 H 1.88 0.03 1 241 31 31 LEU HB3 H 1.20 0.03 1 242 31 31 LEU HG H 1.39 0.03 1 243 31 31 LEU HD1 H 1.12 0.03 1 244 31 31 LEU HD2 H 0.84 0.03 1 245 31 31 LEU CA C 55.26 0.30 1 246 31 31 LEU CB C 42.72 0.30 1 247 31 31 LEU CG C 27.04 0.30 1 248 31 31 LEU CD1 C 25.30 0.30 1 249 31 31 LEU CD2 C 26.04 0.30 1 250 31 31 LEU N N 125.51 0.30 1 251 32 32 LEU H H 8.99 0.03 1 252 32 32 LEU HA H 4.52 0.03 1 253 32 32 LEU HB2 H 1.47 0.03 1 254 32 32 LEU HG H 1.66 0.03 1 255 32 32 LEU HD1 H 0.88 0.03 1 256 32 32 LEU HD2 H 0.79 0.03 1 257 32 32 LEU CA C 55.66 0.30 1 258 32 32 LEU CB C 43.47 0.30 1 259 32 32 LEU CG C 27.29 0.30 1 260 32 32 LEU CD1 C 26.29 0.30 1 261 32 32 LEU CD2 C 23.31 0.30 1 262 32 32 LEU N N 128.59 0.30 1 263 33 33 ALA H H 7.48 0.03 1 264 33 33 ALA HA H 4.59 0.03 1 265 33 33 ALA HB H 1.30 0.03 1 266 33 33 ALA CA C 52.01 0.30 1 267 33 33 ALA CB C 22.38 0.30 1 268 33 33 ALA N N 117.02 0.30 1 269 34 34 TYR H H 8.76 0.03 1 270 34 34 TYR HA H 4.75 0.03 1 271 34 34 TYR HB2 H 3.01 0.03 1 272 34 34 TYR HB3 H 2.90 0.03 1 273 34 34 TYR HD1 H 6.89 0.03 3 274 34 34 TYR HE1 H 6.54 0.03 3 275 34 34 TYR CA C 57.90 0.30 1 276 34 34 TYR CB C 43.22 0.30 1 277 34 34 TYR CD1 C 133.28 0.30 3 278 34 34 TYR CE1 C 117.53 0.30 3 279 34 34 TYR N N 122.23 0.30 1 280 35 35 SER H H 7.97 0.03 1 281 35 35 SER HA H 5.27 0.03 1 282 35 35 SER HB2 H 3.97 0.03 1 283 35 35 SER HB3 H 3.59 0.03 1 284 35 35 SER CA C 58.15 0.30 1 285 35 35 SER CB C 66.61 0.30 1 286 35 35 SER N N 114.13 0.30 1 287 36 36 GLY H H 9.28 0.03 1 288 36 36 GLY HA2 H 3.77 0.03 1 289 36 36 GLY HA3 H 5.02 0.03 1 290 36 36 GLY CA C 44.46 0.30 1 291 36 36 GLY N N 113.36 0.30 1 292 37 37 TYR H H 8.09 0.03 1 293 37 37 TYR HA H 4.35 0.03 1 294 37 37 TYR HB2 H 3.15 0.03 1 295 37 37 TYR HB3 H 2.78 0.03 1 296 37 37 TYR HD1 H 7.11 0.03 3 297 37 37 TYR HE1 H 6.88 0.03 3 298 37 37 TYR CA C 59.64 0.30 1 299 37 37 TYR CB C 38.74 0.30 1 300 37 37 TYR CD1 C 133.06 0.30 3 301 37 37 TYR CE1 C 118.18 0.30 3 302 37 37 TYR N N 123.00 0.30 1 303 38 38 GLY H H 8.68 0.03 1 304 38 38 GLY HA2 H 3.72 0.03 1 305 38 38 GLY HA3 H 3.58 0.03 1 306 38 38 GLY CA C 45.79 0.30 1 307 38 38 GLY N N 115.86 0.30 1 308 39 39 ASP H H 8.21 0.03 1 309 39 39 ASP HA H 4.02 0.03 1 310 39 39 ASP HB2 H 3.15 0.03 1 311 39 39 ASP HB3 H 2.99 0.03 1 312 39 39 ASP CA C 55.83 0.30 1 313 39 39 ASP CB C 40.23 0.30 1 314 39 39 ASP N N 116.25 0.30 1 315 40 40 THR H H 7.56 0.03 1 316 40 40 THR HA H 4.03 0.03 1 317 40 40 THR HB H 4.38 0.03 1 318 40 40 THR HG2 H 1.24 0.03 1 319 40 40 THR CA C 61.78 0.30 1 320 40 40 THR CB C 68.40 0.30 1 321 40 40 THR CG2 C 22.35 0.30 1 322 40 40 THR N N 109.69 0.30 1 323 41 41 ASP H H 8.22 0.03 1 324 41 41 ASP HA H 4.86 0.03 1 325 41 41 ASP HB2 H 3.04 0.03 1 326 41 41 ASP HB3 H 2.35 0.03 1 327 41 41 ASP CA C 52.67 0.30 1 328 41 41 ASP CB C 42.97 0.30 1 329 41 41 ASP N N 124.16 0.30 1 330 42 42 ALA H H 8.83 0.03 1 331 42 42 ALA HA H 4.80 0.03 1 332 42 42 ALA HB H 1.36 0.03 1 333 42 42 ALA CA C 54.22 0.30 1 334 42 42 ALA CB C 18.10 0.30 1 335 42 42 ALA N N 128.97 0.30 1 336 43 43 ARG H H 8.32 0.03 1 337 43 43 ARG HA H 4.12 0.03 1 338 43 43 ARG HB2 H 1.96 0.03 1 339 43 43 ARG HG2 H 1.68 0.03 1 340 43 43 ARG HD2 H 3.21 0.03 1 341 43 43 ARG CA C 58.84 0.30 1 342 43 43 ARG CB C 29.76 0.30 1 343 43 43 ARG CG C 27.29 0.30 1 344 43 43 ARG CD C 43.22 0.30 1 345 43 43 ARG N N 117.02 0.30 1 346 44 44 VAL H H 7.60 0.03 1 347 44 44 VAL HA H 3.71 0.03 1 348 44 44 VAL HB H 2.25 0.03 1 349 44 44 VAL HG2 H 0.99 0.03 1 350 44 44 VAL CA C 65.97 0.30 1 351 44 44 VAL CB C 31.12 0.30 1 352 44 44 VAL N N 122.80 0.30 1 353 45 45 THR H H 7.88 0.03 1 354 45 45 THR HA H 3.21 0.03 1 355 45 45 THR HB H 3.38 0.03 1 356 45 45 THR HG2 H 0.30 0.03 1 357 45 45 THR CA C 65.87 0.30 1 358 45 45 THR CB C 68.13 0.30 1 359 45 45 THR CG2 C 21.26 0.30 1 360 45 45 THR N N 112.97 0.30 1 361 46 46 ALA H H 7.38 0.03 1 362 46 46 ALA HA H 4.11 0.03 1 363 46 46 ALA HB H 1.44 0.03 1 364 46 46 ALA CA C 54.58 0.30 1 365 46 46 ALA CB C 18.33 0.30 1 366 46 46 ALA N N 120.49 0.30 1 367 47 47 ALA H H 7.53 0.03 1 368 47 47 ALA HA H 4.19 0.03 1 369 47 47 ALA HB H 1.55 0.03 1 370 47 47 ALA CA C 54.88 0.30 1 371 47 47 ALA CB C 17.94 0.30 1 372 47 47 ALA N N 121.84 0.30 1 373 48 48 ILE H H 8.24 0.03 1 374 48 48 ILE HA H 3.71 0.03 1 375 48 48 ILE HB H 2.08 0.03 1 376 48 48 ILE HG12 H 1.13 0.03 1 377 48 48 ILE HG13 H 1.88 0.03 1 378 48 48 ILE HG2 H 0.89 0.03 1 379 48 48 ILE HD1 H 0.92 0.03 1 380 48 48 ILE CA C 64.83 0.30 1 381 48 48 ILE CB C 36.56 0.30 1 382 48 48 ILE CG1 C 29.53 0.30 1 383 48 48 ILE CG2 C 17.08 0.30 1 384 48 48 ILE CD1 C 13.10 0.30 1 385 48 48 ILE N N 120.28 0.30 1 386 49 49 ALA H H 8.23 0.03 1 387 49 49 ALA HA H 3.98 0.03 1 388 49 49 ALA HB H 1.58 0.03 1 389 49 49 ALA CA C 55.91 0.30 1 390 49 49 ALA CB C 19.07 0.30 1 391 49 49 ALA N N 120.11 0.30 1 392 50 50 SER H H 8.43 0.03 1 393 50 50 SER HA H 4.42 0.03 1 394 50 50 SER HB2 H 4.09 0.03 1 395 50 50 SER CA C 61.75 0.30 1 396 50 50 SER CB C 62.72 0.30 1 397 50 50 SER N N 112.58 0.30 1 398 51 51 ASN H H 8.41 0.03 1 399 51 51 ASN HA H 4.58 0.03 1 400 51 51 ASN HB2 H 3.18 0.03 1 401 51 51 ASN HB3 H 2.59 0.03 1 402 51 51 ASN CA C 56.16 0.30 1 403 51 51 ASN CB C 38.74 0.30 1 404 51 51 ASN N N 122.03 0.30 1 405 52 52 ILE H H 8.28 0.03 1 406 52 52 ILE HA H 3.79 0.03 1 407 52 52 ILE HB H 2.02 0.03 1 408 52 52 ILE HG12 H 2.02 0.03 1 409 52 52 ILE HG2 H 0.97 0.03 1 410 52 52 ILE HD1 H 0.76 0.03 1 411 52 52 ILE CA C 66.05 0.30 1 412 52 52 ILE CB C 37.99 0.30 1 413 52 52 ILE CG1 C 30.03 0.30 1 414 52 52 ILE CG2 C 17.58 0.30 1 415 52 52 ILE CD1 C 15.34 0.30 1 416 52 52 ILE N N 122.23 0.30 1 417 53 53 TRP H H 8.57 0.03 1 418 53 53 TRP HA H 4.40 0.03 1 419 53 53 TRP HB2 H 2.98 0.03 1 420 53 53 TRP HB3 H 2.39 0.03 1 421 53 53 TRP HE3 H 7.29 0.03 1 422 53 53 TRP HZ2 H 7.37 0.03 1 423 53 53 TRP HZ3 H 6.93 0.03 1 424 53 53 TRP HH2 H 7.17 0.03 1 425 53 53 TRP CA C 59.15 0.30 1 426 53 53 TRP CB C 29.23 0.30 1 427 53 53 TRP CE3 C 119.47 0.30 1 428 53 53 TRP CZ2 C 114.30 0.30 1 429 53 53 TRP CZ3 C 122.49 0.30 1 430 53 53 TRP CH2 C 124.86 0.30 1 431 53 53 TRP N N 119.91 0.30 1 432 54 54 ALA H H 7.60 0.03 1 433 54 54 ALA HA H 4.14 0.03 1 434 54 54 ALA HB H 1.52 0.03 1 435 54 54 ALA CA C 54.91 0.30 1 436 54 54 ALA CB C 17.91 0.30 1 437 54 54 ALA N N 120.29 0.30 1 438 55 55 ALA H H 7.45 0.03 1 439 55 55 ALA HA H 3.98 0.03 1 440 55 55 ALA HB H 1.61 0.03 1 441 55 55 ALA CA C 54.84 0.30 1 442 55 55 ALA CB C 18.08 0.30 1 443 55 55 ALA N N 119.72 0.30 1 444 56 56 TYR H H 8.19 0.03 1 445 56 56 TYR HA H 3.89 0.03 1 446 56 56 TYR HB2 H 2.81 0.03 1 447 56 56 TYR HD1 H 6.42 0.03 3 448 56 56 TYR HE1 H 6.60 0.03 3 449 56 56 TYR CA C 60.53 0.30 1 450 56 56 TYR CB C 38.24 0.30 1 451 56 56 TYR CD1 C 132.85 0.30 3 452 56 56 TYR CE1 C 117.96 0.30 3 453 56 56 TYR N N 120.11 0.30 1 454 57 57 ASP H H 8.36 0.03 1 455 57 57 ASP HA H 3.80 0.03 1 456 57 57 ASP HB2 H 1.65 0.03 1 457 57 57 ASP HB3 H 2.18 0.03 1 458 57 57 ASP CA C 55.66 0.30 1 459 57 57 ASP CB C 41.23 0.30 1 460 57 57 ASP N N 119.91 0.30 1 461 58 58 ARG H H 7.47 0.03 1 462 58 58 ARG HA H 4.07 0.03 1 463 58 58 ARG HB2 H 1.82 0.03 1 464 58 58 ARG HB3 H 1.61 0.03 1 465 58 58 ARG HG2 H 1.63 0.03 1 466 58 58 ARG HD2 H 3.19 0.03 1 467 58 58 ARG HD3 H 3.03 0.03 1 468 58 58 ARG CA C 57.40 0.30 1 469 58 58 ARG CB C 30.27 0.30 1 470 58 58 ARG CG C 27.04 0.30 1 471 58 58 ARG CD C 41.73 0.30 1 472 58 58 ARG N N 116.44 0.30 1 473 59 59 ASN H H 7.78 0.03 1 474 59 59 ASN HA H 4.62 0.03 1 475 59 59 ASN HB2 H 2.68 0.03 1 476 59 59 ASN HB3 H 2.80 0.03 1 477 59 59 ASN CA C 54.24 0.30 1 478 59 59 ASN CB C 39.76 0.30 1 479 59 59 ASN N N 116.64 0.30 1 480 60 60 GLY H H 7.96 0.03 1 481 60 60 GLY HA2 H 3.73 0.03 1 482 60 60 GLY CA C 45.63 0.30 1 483 60 60 GLY N N 108.15 0.30 1 484 61 61 ASN H H 8.01 0.03 1 485 61 61 ASN HA H 4.53 0.03 1 486 61 61 ASN HB2 H 2.64 0.03 1 487 61 61 ASN HB3 H 2.74 0.03 1 488 61 61 ASN CA C 53.61 0.30 1 489 61 61 ASN CB C 38.49 0.30 1 490 61 61 ASN N N 118.56 0.30 1 491 62 62 GLN H H 8.28 0.03 1 492 62 62 GLN HA H 4.18 0.03 1 493 62 62 GLN HB2 H 1.96 0.03 1 494 62 62 GLN HB3 H 2.06 0.03 1 495 62 62 GLN HG2 H 2.33 0.03 1 496 62 62 GLN CA C 56.66 0.30 1 497 62 62 GLN CB C 28.78 0.30 1 498 62 62 GLN CG C 33.77 0.30 1 499 62 62 GLN N N 119.72 0.30 1 500 63 63 ALA H H 7.53 0.03 1 501 63 63 ALA HA H 4.26 0.03 1 502 63 63 ALA HB H 1.28 0.03 1 503 63 63 ALA CA C 53.16 0.30 1 504 63 63 ALA CB C 19.07 0.30 1 505 63 63 ALA N N 119.33 0.30 1 506 64 64 PHE H H 8.04 0.03 1 507 64 64 PHE HA H 4.70 0.03 1 508 64 64 PHE HB2 H 3.04 0.03 1 509 64 64 PHE HB3 H 3.24 0.03 1 510 64 64 PHE HD1 H 7.27 0.03 3 511 64 64 PHE HD2 H 7.28 0.03 3 512 64 64 PHE HE1 H 7.10 0.03 3 513 64 64 PHE CA C 57.93 0.30 1 514 64 64 PHE CB C 38.99 0.30 1 515 64 64 PHE CD1 C 131.77 0.30 3 516 64 64 PHE CD2 C 131.76 0.30 3 517 64 64 PHE CE1 C 129.40 0.30 3 518 64 64 PHE N N 117.41 0.30 1 519 65 65 ASN H H 8.20 0.03 1 520 65 65 ASN HA H 4.74 0.03 1 521 65 65 ASN HB2 H 2.92 0.03 1 522 65 65 ASN CA C 53.50 0.30 1 523 65 65 ASN CB C 39.02 0.30 1 524 65 65 ASN N N 119.14 0.30 1 525 66 66 GLU H H 8.33 0.03 1 526 66 66 GLU HA H 4.33 0.03 1 527 66 66 GLU HB2 H 2.04 0.03 1 528 66 66 GLU HB3 H 2.17 0.03 1 529 66 66 GLU HG2 H 2.34 0.03 1 530 66 66 GLU CA C 57.16 0.30 1 531 66 66 GLU CB C 29.78 0.30 1 532 66 66 GLU CG C 36.25 0.30 1 533 66 66 GLU N N 119.72 0.30 1 534 67 67 ASP H H 8.28 0.03 1 535 67 67 ASP HA H 4.61 0.03 1 536 67 67 ASP HB2 H 2.85 0.03 1 537 67 67 ASP HB3 H 2.74 0.03 1 538 67 67 ASP CA C 55.03 0.30 1 539 67 67 ASP CB C 41.03 0.30 1 540 67 67 ASP N N 119.72 0.30 1 541 68 68 SER H H 8.11 0.03 1 542 68 68 SER HA H 4.44 0.03 1 543 68 68 SER HB2 H 3.97 0.03 1 544 68 68 SER CA C 58.65 0.30 1 545 68 68 SER CB C 63.45 0.30 1 546 68 68 SER N N 114.51 0.30 1 547 69 69 LEU H H 8.02 0.03 1 548 69 69 LEU HA H 4.48 0.03 1 549 69 69 LEU HB2 H 1.68 0.03 1 550 69 69 LEU HD1 H 0.94 0.03 1 551 69 69 LEU HD2 H 1.03 0.03 1 552 69 69 LEU CA C 55.00 0.30 1 553 69 69 LEU CB C 42.72 0.30 1 554 69 69 LEU CD1 C 24.39 0.30 1 555 69 69 LEU CD2 C 24.80 0.30 1 556 69 69 LEU N N 122.85 0.30 1 557 70 70 LYS H H 8.44 0.03 1 558 70 70 LYS HA H 4.38 0.03 1 559 70 70 LYS HB2 H 1.85 0.03 1 560 70 70 LYS CA C 56.69 0.30 1 561 70 70 LYS CB C 33.22 0.30 1 562 70 70 LYS N N 121.46 0.30 1 563 71 71 PHE H H 8.01 0.03 1 564 71 71 PHE HA H 5.50 0.03 1 565 71 71 PHE HB2 H 2.99 0.03 1 566 71 71 PHE HB3 H 2.90 0.03 1 567 71 71 PHE HD1 H 7.23 0.03 3 568 71 71 PHE HE1 H 7.03 0.03 3 569 71 71 PHE CA C 57.16 0.30 1 570 71 71 PHE CB C 42.97 0.30 1 571 71 71 PHE CD1 C 131.98 0.30 3 572 71 71 PHE CE1 C 130.90 0.30 3 573 71 71 PHE N N 120.49 0.30 1 574 72 72 ILE H H 8.80 0.03 1 575 72 72 ILE HA H 4.39 0.03 1 576 72 72 ILE HB H 1.73 0.03 1 577 72 72 ILE HG12 H 1.37 0.03 1 578 72 72 ILE HG2 H 0.83 0.03 1 579 72 72 ILE HD1 H 0.76 0.03 1 580 72 72 ILE CA C 60.39 0.30 1 581 72 72 ILE CB C 41.23 0.30 1 582 72 72 ILE CG1 C 27.04 0.30 1 583 72 72 ILE CG2 C 17.83 0.30 1 584 72 72 ILE CD1 C 14.10 0.30 1 585 72 72 ILE N N 123.77 0.30 1 586 73 73 LEU H H 8.34 0.03 1 587 73 73 LEU HA H 5.35 0.03 1 588 73 73 LEU HB2 H 1.38 0.03 1 589 73 73 LEU HB3 H 1.32 0.03 1 590 73 73 LEU HD1 H 0.93 0.03 1 591 73 73 LEU HD2 H 0.83 0.03 1 592 73 73 LEU CA C 53.08 0.30 1 593 73 73 LEU CB C 44.21 0.30 1 594 73 73 LEU CD1 C 25.30 0.30 1 595 73 73 LEU CD2 C 25.28 0.30 1 596 73 73 LEU N N 126.66 0.30 1 597 74 74 MET H H 8.97 0.03 1 598 74 74 MET HA H 4.93 0.03 1 599 74 74 MET HB2 H 2.05 0.03 1 600 74 74 MET HG2 H 2.43 0.03 1 601 74 74 MET HG3 H 2.28 0.03 1 602 74 74 MET HE H 1.50 0.03 1 603 74 74 MET CA C 54.18 0.30 1 604 74 74 MET CB C 36.50 0.30 1 605 74 74 MET CE C 15.59 0.30 1 606 74 74 MET N N 121.07 0.30 1 607 75 75 ASP H H 8.76 0.03 1 608 75 75 ASP HA H 5.13 0.03 1 609 75 75 ASP HB2 H 2.81 0.03 1 610 75 75 ASP HB3 H 2.60 0.03 1 611 75 75 ASP CA C 54.91 0.30 1 612 75 75 ASP CB C 40.73 0.30 1 613 75 75 ASP N N 123.77 0.30 1 614 77 77 MET H H 9.29 0.03 1 615 77 77 MET HA H 3.83 0.03 1 616 77 77 MET CA C 57.35 0.30 1 617 77 77 MET CB C 29.91 0.30 1 618 77 77 MET N N 124.54 0.30 1 619 78 78 GLU CA C 55.81 0.30 1 620 78 78 GLU CB C 29.13 0.30 1 621 79 79 GLY H H 8.26 0.03 1 622 79 79 GLY HA2 H 4.15 0.03 1 623 79 79 GLY HA3 H 4.32 0.03 1 624 79 79 GLY CA C 45.71 0.30 1 625 79 79 GLY N N 109.11 0.30 1 626 80 80 ARG H H 9.19 0.03 1 627 80 80 ARG HA H 5.39 0.03 1 628 80 80 ARG HB2 H 1.57 0.03 1 629 80 80 ARG HB3 H 1.73 0.03 1 630 80 80 ARG CA C 54.92 0.30 1 631 80 80 ARG CB C 34.51 0.30 1 632 80 80 ARG N N 125.70 0.30 1 633 81 81 VAL H H 9.55 0.03 1 634 81 81 VAL HA H 5.78 0.03 1 635 81 81 VAL HB H 1.90 0.03 1 636 81 81 VAL HG1 H 1.01 0.03 1 637 81 81 VAL HG2 H 0.99 0.03 1 638 81 81 VAL CA C 58.32 0.30 1 639 81 81 VAL CB C 36.25 0.30 1 640 81 81 VAL CG1 C 22.48 0.30 1 641 81 81 VAL CG2 C 21.32 0.30 1 642 81 81 VAL N N 119.53 0.30 1 643 82 82 ALA H H 8.81 0.03 1 644 82 82 ALA HA H 5.59 0.03 1 645 82 82 ALA HB H 1.40 0.03 1 646 82 82 ALA CA C 49.47 0.30 1 647 82 82 ALA CB C 22.56 0.30 1 648 82 82 ALA N N 128.21 0.30 1 649 83 83 ILE H H 9.12 0.03 1 650 83 83 ILE HA H 5.24 0.03 1 651 83 83 ILE HB H 1.62 0.03 1 652 83 83 ILE HG13 H 1.54 0.03 1 653 83 83 ILE HG2 H 0.71 0.03 1 654 83 83 ILE HD1 H 0.75 0.03 1 655 83 83 ILE CA C 60.38 0.30 1 656 83 83 ILE CB C 41.97 0.30 1 657 83 83 ILE CG1 C 27.54 0.30 1 658 83 83 ILE CG2 C 17.81 0.30 1 659 83 83 ILE CD1 C 14.41 0.30 1 660 83 83 ILE N N 123.00 0.30 1 661 84 84 THR H H 9.03 0.03 1 662 84 84 THR HA H 5.01 0.03 1 663 84 84 THR HB H 3.74 0.03 1 664 84 84 THR HG2 H 1.02 0.03 1 665 84 84 THR CA C 60.14 0.30 1 666 84 84 THR CB C 70.59 0.30 1 667 84 84 THR CG2 C 19.65 0.30 1 668 84 84 THR N N 122.03 0.30 1 669 85 85 ARG H H 8.09 0.03 1 670 85 85 ARG HA H 5.01 0.03 1 671 85 85 ARG HB2 H 1.56 0.03 1 672 85 85 ARG HB3 H 1.57 0.03 1 673 85 85 ARG HG2 H 1.49 0.03 1 674 85 85 ARG HD2 H 3.10 0.03 1 675 85 85 ARG HD3 H 2.57 0.03 1 676 85 85 ARG CA C 55.41 0.30 1 677 85 85 ARG CB C 31.52 0.30 1 678 85 85 ARG CG C 27.28 0.30 1 679 85 85 ARG CD C 43.22 0.30 1 680 85 85 ARG N N 125.51 0.30 1 681 86 86 VAL H H 8.24 0.03 1 682 86 86 VAL HA H 4.29 0.03 1 683 86 86 VAL HB H 1.99 0.03 1 684 86 86 VAL HG1 H 0.95 0.03 1 685 86 86 VAL HG2 H 0.88 0.03 1 686 86 86 VAL CA C 60.21 0.30 1 687 86 86 VAL CB C 33.51 0.30 1 688 86 86 VAL CG1 C 22.06 0.30 1 689 86 86 VAL CG2 C 20.07 0.30 1 690 86 86 VAL N N 123.58 0.30 1 691 87 87 ALA H H 9.28 0.03 1 692 87 87 ALA HA H 3.92 0.03 1 693 87 87 ALA HB H 1.48 0.03 1 694 87 87 ALA CA C 53.84 0.30 1 695 87 87 ALA CB C 17.30 0.30 1 696 87 87 ALA N N 129.94 0.30 1 697 88 88 ASN CB C 38.09 0.30 1 698 89 89 LEU H H 8.63 0.03 1 699 89 89 LEU HA H 4.80 0.03 1 700 89 89 LEU HB2 H 1.48 0.03 1 701 89 89 LEU HB3 H 2.00 0.03 1 702 89 89 LEU HD1 H 0.84 0.03 1 703 89 89 LEU CA C 53.42 0.30 1 704 89 89 LEU CB C 44.72 0.30 1 705 89 89 LEU CD1 C 23.55 0.30 1 706 89 89 LEU N N 120.11 0.30 1 707 90 90 LEU H H 8.86 0.03 1 708 90 90 LEU HA H 4.88 0.03 1 709 90 90 LEU HB2 H 1.59 0.03 1 710 90 90 LEU HG H 1.34 0.03 1 711 90 90 LEU HD1 H 0.55 0.03 1 712 90 90 LEU HD2 H 0.56 0.03 1 713 90 90 LEU CA C 53.42 0.30 1 714 90 90 LEU CB C 42.97 0.30 1 715 90 90 LEU CG C 26.79 0.30 1 716 90 90 LEU CD1 C 23.55 0.30 1 717 90 90 LEU CD2 C 24.55 0.30 1 718 90 90 LEU N N 120.11 0.30 1 719 91 91 LEU H H 9.13 0.03 1 720 91 91 LEU HA H 5.02 0.03 1 721 91 91 LEU HB2 H 1.85 0.03 1 722 91 91 LEU HD1 H 0.84 0.03 1 723 91 91 LEU CA C 54.09 0.30 1 724 91 91 LEU CB C 42.87 0.30 1 725 91 91 LEU CD1 C 23.55 0.30 1 726 91 91 LEU N N 127.05 0.30 1 727 92 92 CYS H H 9.23 0.03 1 728 92 92 CYS HA H 5.81 0.03 1 729 92 92 CYS HB2 H 2.93 0.03 1 730 92 92 CYS HB3 H 2.42 0.03 1 731 92 92 CYS CA C 55.41 0.30 1 732 92 92 CYS CB C 30.27 0.30 1 733 92 92 CYS N N 123.77 0.30 1 734 93 93 MET H H 9.20 0.03 1 735 93 93 MET HA H 5.39 0.03 1 736 93 93 MET HB2 H 2.01 0.03 1 737 93 93 MET HB3 H 1.93 0.03 1 738 93 93 MET HG2 H 2.46 0.03 1 739 93 93 MET HG3 H 2.95 0.03 1 740 93 93 MET HE H 2.06 0.03 1 741 93 93 MET CA C 54.92 0.30 1 742 93 93 MET CB C 37.24 0.30 1 743 93 93 MET CG C 33.01 0.30 1 744 93 93 MET CE C 18.08 0.30 1 745 93 93 MET N N 122.61 0.30 1 746 94 94 TYR H H 9.25 0.03 1 747 94 94 TYR HA H 5.61 0.03 1 748 94 94 TYR HB2 H 2.78 0.03 1 749 94 94 TYR HD1 H 7.08 0.03 3 750 94 94 TYR HE1 H 6.79 0.03 3 751 94 94 TYR CA C 54.91 0.30 1 752 94 94 TYR CB C 40.73 0.30 1 753 94 94 TYR CD1 C 132.85 0.30 3 754 94 94 TYR CE1 C 118.18 0.30 3 755 94 94 TYR N N 124.73 0.30 1 756 95 95 ALA H H 9.57 0.03 1 757 95 95 ALA HA H 4.90 0.03 1 758 95 95 ALA HB H 1.34 0.03 1 759 95 95 ALA CA C 49.86 0.30 1 760 95 95 ALA CB C 25.06 0.30 1 761 95 95 ALA N N 107.38 0.30 1 762 96 96 LYS H H 7.68 0.03 1 763 96 96 LYS HA H 4.23 0.03 1 764 96 96 LYS HB2 H 1.43 0.03 1 765 96 96 LYS CA C 56.05 0.30 1 766 96 96 LYS CB C 33.41 0.30 1 767 96 96 LYS N N 117.41 0.30 1 768 97 97 GLU H H 9.00 0.03 1 769 97 97 GLU HA H 3.94 0.03 1 770 97 97 GLU HB2 H 2.12 0.03 1 771 97 97 GLU HG2 H 2.28 0.03 1 772 97 97 GLU CA C 57.97 0.30 1 773 97 97 GLU CB C 29.52 0.30 1 774 97 97 GLU CG C 36.00 0.30 1 775 97 97 GLU N N 118.56 0.30 1 776 98 98 THR HA H 4.41 0.03 1 777 98 98 THR HB H 4.55 0.03 1 778 98 98 THR HG2 H 1.28 0.03 1 779 98 98 THR CA C 61.45 0.30 1 780 98 98 THR CB C 69.35 0.30 1 781 98 98 THR CG2 C 21.81 0.30 1 782 99 99 VAL H H 7.44 0.03 1 783 99 99 VAL HA H 3.97 0.03 1 784 99 99 VAL HB H 2.00 0.03 1 785 99 99 VAL HG2 H 0.95 0.03 1 786 99 99 VAL CA C 62.58 0.30 1 787 99 99 VAL CB C 31.52 0.30 1 788 99 99 VAL CG2 C 21.86 0.30 1 789 99 99 VAL N N 123.95 0.30 1 790 100 100 GLY H H 8.54 0.03 1 791 100 100 GLY HA2 H 3.91 0.03 1 792 100 100 GLY CA C 44.79 0.30 1 793 100 100 GLY N N 113.93 0.30 1 794 101 101 PHE H H 8.76 0.03 1 795 101 101 PHE HA H 4.23 0.03 1 796 101 101 PHE HB2 H 3.20 0.03 1 797 101 101 PHE HD1 H 7.30 0.03 3 798 101 101 PHE CA C 61.34 0.30 1 799 101 101 PHE CB C 38.99 0.30 1 800 101 101 PHE CD1 C 131.34 0.30 3 801 101 101 PHE N N 121.26 0.30 1 802 102 102 GLY H H 8.91 0.03 1 803 102 102 GLY HA2 H 3.93 0.03 1 804 102 102 GLY HA3 H 3.68 0.03 1 805 102 102 GLY CA C 46.95 0.30 1 806 102 102 GLY N N 106.61 0.30 1 807 103 103 MET H H 7.56 0.03 1 808 103 103 MET HA H 4.36 0.03 1 809 103 103 MET HB2 H 2.02 0.03 1 810 103 103 MET HE H 2.09 0.03 1 811 103 103 MET CA C 57.41 0.30 1 812 103 103 MET CB C 31.05 0.30 1 813 103 103 MET CE C 17.08 0.30 1 814 103 103 MET N N 123.00 0.30 1 815 104 104 LEU H H 7.88 0.03 1 816 104 104 LEU HA H 3.91 0.03 1 817 104 104 LEU HB2 H 1.56 0.03 1 818 104 104 LEU HD1 H 0.80 0.03 1 819 104 104 LEU CA C 58.15 0.30 1 820 104 104 LEU CB C 41.10 0.30 1 821 104 104 LEU CD1 C 24.48 0.30 1 822 104 104 LEU N N 120.11 0.30 1 823 105 105 LYS H H 8.38 0.03 1 824 105 105 LYS HA H 3.28 0.03 1 825 105 105 LYS HB2 H 1.22 0.03 1 826 105 105 LYS HB3 H 1.47 0.03 1 827 105 105 LYS HG2 H 1.30 0.03 1 828 105 105 LYS HD2 H 2.60 0.03 1 829 105 105 LYS CA C 59.85 0.30 1 830 105 105 LYS CB C 31.77 0.30 1 831 105 105 LYS CG C 29.28 0.30 1 832 105 105 LYS CD C 41.54 0.30 1 833 105 105 LYS N N 119.53 0.30 1 834 106 106 ALA H H 8.29 0.03 1 835 106 106 ALA HA H 4.01 0.03 1 836 106 106 ALA HB H 1.46 0.03 1 837 106 106 ALA CA C 54.75 0.30 1 838 106 106 ALA CB C 18.27 0.30 1 839 106 106 ALA N N 118.18 0.30 1 840 107 107 LYS H H 8.16 0.03 1 841 107 107 LYS HA H 4.02 0.03 1 842 107 107 LYS HB2 H 1.72 0.03 1 843 107 107 LYS CA C 59.15 0.30 1 844 107 107 LYS CB C 32.60 0.30 1 845 107 107 LYS N N 119.53 0.30 1 846 108 108 ALA H H 8.29 0.03 1 847 108 108 ALA HA H 4.04 0.03 1 848 108 108 ALA HB H 1.61 0.03 1 849 108 108 ALA CA C 55.58 0.30 1 850 108 108 ALA CB C 18.08 0.30 1 851 108 108 ALA N N 122.23 0.30 1 852 109 109 GLN H H 8.49 0.03 1 853 109 109 GLN HA H 4.00 0.03 1 854 109 109 GLN HB2 H 2.10 0.03 1 855 109 109 GLN HB3 H 2.25 0.03 1 856 109 109 GLN HG2 H 2.43 0.03 1 857 109 109 GLN CA C 59.10 0.30 1 858 109 109 GLN CB C 28.53 0.30 1 859 109 109 GLN CG C 34.16 0.30 1 860 109 109 GLN N N 116.64 0.30 1 861 110 110 ALA HA H 4.11 0.03 1 862 110 110 ALA HB H 1.57 0.03 1 863 110 110 ALA CA C 54.55 0.30 1 864 110 110 ALA CB C 18.11 0.30 1 865 111 111 LEU H H 7.59 0.03 1 866 111 111 LEU HA H 4.10 0.03 1 867 111 111 LEU HB2 H 1.60 0.03 1 868 111 111 LEU HB3 H 1.73 0.03 1 869 111 111 LEU HD1 H 0.84 0.03 1 870 111 111 LEU CA C 57.40 0.30 1 871 111 111 LEU CB C 41.97 0.30 1 872 111 111 LEU CD1 C 24.80 0.30 1 873 111 111 LEU N N 118.95 0.30 1 874 112 112 VAL H H 8.38 0.03 1 875 112 112 VAL HA H 3.45 0.03 1 876 112 112 VAL HB H 2.25 0.03 1 877 112 112 VAL HG1 H 1.01 0.03 1 878 112 112 VAL HG2 H 1.08 0.03 1 879 112 112 VAL CA C 67.61 0.30 1 880 112 112 VAL CB C 31.52 0.30 1 881 112 112 VAL CG1 C 21.57 0.30 1 882 112 112 VAL CG2 C 23.36 0.30 1 883 112 112 VAL N N 118.99 0.30 1 884 113 113 GLN H H 7.61 0.03 1 885 113 113 GLN HA H 4.08 0.03 1 886 113 113 GLN HB2 H 2.04 0.03 1 887 113 113 GLN CA C 58.04 0.30 1 888 113 113 GLN CB C 28.28 0.30 1 889 113 113 GLN N N 116.25 0.30 1 890 114 114 TYR H H 7.57 0.03 1 891 114 114 TYR HA H 4.44 0.03 1 892 114 114 TYR HB2 H 3.20 0.03 1 893 114 114 TYR HB3 H 3.11 0.03 1 894 114 114 TYR HD1 H 7.11 0.03 3 895 114 114 TYR HE1 H 6.85 0.03 3 896 114 114 TYR CA C 59.91 0.30 1 897 114 114 TYR CB C 38.74 0.30 1 898 114 114 TYR CD1 C 133.06 0.30 3 899 114 114 TYR CE1 C 118.18 0.30 3 900 114 114 TYR N N 117.98 0.30 1 901 115 115 LEU H H 8.10 0.03 1 902 115 115 LEU HA H 4.38 0.03 1 903 115 115 LEU HB2 H 1.66 0.03 1 904 115 115 LEU HB3 H 1.56 0.03 1 905 115 115 LEU HD1 H 0.93 0.03 1 906 115 115 LEU HD2 H 0.89 0.03 1 907 115 115 LEU CA C 55.20 0.30 1 908 115 115 LEU CB C 42.54 0.30 1 909 115 115 LEU CD1 C 25.48 0.30 1 910 115 115 LEU CD2 C 23.73 0.30 1 911 115 115 LEU N N 116.64 0.30 1 912 116 116 GLU H H 7.89 0.03 1 913 116 116 GLU HA H 3.87 0.03 1 914 116 116 GLU HB2 H 2.01 0.03 1 915 116 116 GLU CA C 59.17 0.30 1 916 116 116 GLU CB C 29.42 0.30 1 917 116 116 GLU N N 118.18 0.30 1 918 118 118 PRO HA H 4.39 0.03 1 919 118 118 PRO HB2 H 2.29 0.03 1 920 118 118 PRO HB3 H 1.80 0.03 1 921 118 118 PRO CA C 65.12 0.30 1 922 118 118 PRO CB C 31.32 0.30 1 923 119 119 LEU H H 8.01 0.03 1 924 119 119 LEU HA H 4.32 0.03 1 925 119 119 LEU HB2 H 1.56 0.03 1 926 119 119 LEU HB3 H 1.80 0.03 1 927 119 119 LEU HG H 1.81 0.03 1 928 119 119 LEU HD1 H 0.86 0.03 1 929 119 119 LEU HD2 H 0.90 0.03 1 930 119 119 LEU CA C 56.16 0.30 1 931 119 119 LEU CB C 41.72 0.30 1 932 119 119 LEU CG C 27.04 0.30 1 933 119 119 LEU CD1 C 23.15 0.30 1 934 119 119 LEU CD2 C 26.04 0.30 1 935 119 119 LEU N N 117.21 0.30 1 936 120 120 THR H H 7.94 0.03 1 937 120 120 THR HA H 4.24 0.03 1 938 120 120 THR HB H 4.34 0.03 1 939 120 120 THR HG2 H 1.29 0.03 1 940 120 120 THR CA C 63.63 0.30 1 941 120 120 THR CB C 69.60 0.30 1 942 120 120 THR CG2 C 21.32 0.30 1 943 120 120 THR N N 114.32 0.30 1 944 121 121 GLN H H 8.03 0.03 1 945 121 121 GLN HA H 4.36 0.03 1 946 121 121 GLN HB2 H 2.06 0.03 1 947 121 121 GLN HB3 H 2.18 0.03 1 948 121 121 GLN HG2 H 2.41 0.03 1 949 121 121 GLN CA C 56.15 0.30 1 950 121 121 GLN CB C 29.28 0.30 1 951 121 121 GLN CG C 33.76 0.30 1 952 121 121 GLN N N 121.84 0.30 1 953 122 122 VAL H H 7.93 0.03 1 954 122 122 VAL HA H 4.12 0.03 1 955 122 122 VAL HB H 2.14 0.03 1 956 122 122 VAL HG2 H 0.98 0.03 1 957 122 122 VAL CA C 62.43 0.30 1 958 122 122 VAL CB C 32.83 0.30 1 959 122 122 VAL CG2 C 21.12 0.30 1 960 122 122 VAL N N 120.49 0.30 1 961 123 123 ALA H H 8.25 0.03 1 962 123 123 ALA HA H 4.38 0.03 1 963 123 123 ALA HB H 1.44 0.03 1 964 123 123 ALA CA C 52.34 0.30 1 965 123 123 ALA CB C 19.32 0.30 1 966 123 123 ALA N N 127.24 0.30 1 967 124 124 ALA H H 8.21 0.03 1 968 124 124 ALA HA H 4.32 0.03 1 969 124 124 ALA HB H 1.39 0.03 1 970 124 124 ALA CA C 51.95 0.30 1 971 124 124 ALA CB C 19.67 0.30 1 972 124 124 ALA N N 124.02 0.30 1 973 125 125 SER H H 7.88 0.03 1 974 125 125 SER HA H 4.26 0.03 1 975 125 125 SER HB2 H 3.89 0.03 1 976 125 125 SER CA C 59.89 0.30 1 977 125 125 SER CB C 64.83 0.30 1 978 125 125 SER N N 120.49 0.30 1 stop_ save_