data_17289 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of calcium-loaded STIM2 EF-SAM. ; _BMRB_accession_number 17289 _BMRB_flat_file_name bmr17289.str _Entry_type original _Submission_date 2010-11-09 _Accession_date 2010-11-09 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR structural ensemble of the calcium sensing region of stromal interaction molecule-2 consisting of the EF-hand together with the SAM domains (residues 62-205).' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zheng Le . . 2 Stathopulos Peter B. . 3 Ikura Mitsuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 805 "13C chemical shifts" 431 "15N chemical shifts" 141 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-01-27 update BMRB 'update entry citation' 2011-01-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Auto-inhibitory role of the EF-SAM domain of STIM proteins in store-operated calcium entry.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21217057 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zheng Le . . 2 Stathopulos Peter B. . 3 Schindl Rainer . . 4 Li Guang-Yao . . 5 Romanin Christoph . . 6 Ikura Mitsuhiko . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U. S. A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 108 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1337 _Page_last 1342 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Stromal_Interaction_Molecule_2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Stromal_Interaction_Molecule_2 $Stromal_Interaction_Molecule_2 'CALCIUM ION' $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Stromal_Interaction_Molecule_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Stromal_Interaction_Molecule_2 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; GSHMASTEEDRFSLEALQTI HKQMDDDKDGGIEVEESDEF IREDMKYKDATNKHSHLHRE DKHITIEDLWKRWKTSEVHN WTLEDTLQWLIEFVELPQYE KNFRDNNVKGTTLPRIAVHE PSFMISQLKISDRSHRQKLQ LKALDVVLFG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 GLY 2 -4 SER 3 -3 HIS 4 -2 MET 5 -1 ALA 6 0 SER 7 62 THR 8 63 GLU 9 64 GLU 10 65 ASP 11 66 ARG 12 67 PHE 13 68 SER 14 69 LEU 15 70 GLU 16 71 ALA 17 72 LEU 18 73 GLN 19 74 THR 20 75 ILE 21 76 HIS 22 77 LYS 23 78 GLN 24 79 MET 25 80 ASP 26 81 ASP 27 82 ASP 28 83 LYS 29 84 ASP 30 85 GLY 31 86 GLY 32 87 ILE 33 88 GLU 34 89 VAL 35 90 GLU 36 91 GLU 37 92 SER 38 93 ASP 39 94 GLU 40 95 PHE 41 96 ILE 42 97 ARG 43 98 GLU 44 99 ASP 45 100 MET 46 101 LYS 47 102 TYR 48 103 LYS 49 104 ASP 50 105 ALA 51 106 THR 52 107 ASN 53 108 LYS 54 109 HIS 55 110 SER 56 111 HIS 57 112 LEU 58 113 HIS 59 114 ARG 60 115 GLU 61 116 ASP 62 117 LYS 63 118 HIS 64 119 ILE 65 120 THR 66 121 ILE 67 122 GLU 68 123 ASP 69 124 LEU 70 125 TRP 71 126 LYS 72 127 ARG 73 128 TRP 74 129 LYS 75 130 THR 76 131 SER 77 132 GLU 78 133 VAL 79 134 HIS 80 135 ASN 81 136 TRP 82 137 THR 83 138 LEU 84 139 GLU 85 140 ASP 86 141 THR 87 142 LEU 88 143 GLN 89 144 TRP 90 145 LEU 91 146 ILE 92 147 GLU 93 148 PHE 94 149 VAL 95 150 GLU 96 151 LEU 97 152 PRO 98 153 GLN 99 154 TYR 100 155 GLU 101 156 LYS 102 157 ASN 103 158 PHE 104 159 ARG 105 160 ASP 106 161 ASN 107 162 ASN 108 163 VAL 109 164 LYS 110 165 GLY 111 166 THR 112 167 THR 113 168 LEU 114 169 PRO 115 170 ARG 116 171 ILE 117 172 ALA 118 173 VAL 119 174 HIS 120 175 GLU 121 176 PRO 122 177 SER 123 178 PHE 124 179 MET 125 180 ILE 126 181 SER 127 182 GLN 128 183 LEU 129 184 LYS 130 185 ILE 131 186 SER 132 187 ASP 133 188 ARG 134 189 SER 135 190 HIS 136 191 ARG 137 192 GLN 138 193 LYS 139 194 LEU 140 195 GLN 141 196 LEU 142 197 LYS 143 198 ALA 144 199 LEU 145 200 ASP 146 201 VAL 147 202 VAL 148 203 LEU 149 204 PHE 150 205 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2L5Y "Nmr Structure Of Calcium-Loaded Stim2 Ef-Sam" 100.00 150 100.00 100.00 1.13e-104 DBJ BAA96006 "KIAA1482 protein [Homo sapiens]" 96.00 818 100.00 100.00 2.29e-95 DBJ BAD32461 "mKIAA1482 protein [Mus musculus]" 96.00 815 97.22 99.31 7.37e-93 DBJ BAG10078 "stromal interaction molecule 2 precursor [synthetic construct]" 96.00 698 100.00 100.00 6.28e-96 DBJ BAG53377 "unnamed protein product [Homo sapiens]" 96.00 826 100.00 100.00 2.27e-95 EMBL CAB66512 "hypothetical protein [Homo sapiens]" 96.00 769 100.00 100.00 1.78e-95 EMBL CAN36430 "stromal interaction molecule 2 [Mus musculus]" 96.00 746 97.22 99.31 6.54e-93 GB AAI36450 "STIM2 protein [Homo sapiens]" 96.00 841 100.00 100.00 2.41e-95 GB AAI37882 "Stim2 protein [Mus musculus]" 96.00 812 97.22 99.31 7.52e-93 GB AAI45002 "Stim2 protein [Mus musculus]" 96.00 812 97.22 99.31 8.62e-93 GB AAI46662 "STIM2 protein [Homo sapiens]" 96.00 686 100.00 100.00 3.32e-96 GB AAI52555 "STIM2 protein [Homo sapiens]" 96.00 686 100.00 100.00 3.32e-96 REF NP_001074572 "stromal interaction molecule 2 precursor [Mus musculus]" 96.00 746 97.22 99.31 6.54e-93 REF NP_001099220 "stromal interaction molecule 2 precursor [Rattus norvegicus]" 96.00 743 97.22 99.31 6.16e-93 REF NP_001162588 "stromal interaction molecule 2 isoform 3 precursor [Homo sapiens]" 96.00 599 100.00 100.00 9.65e-97 REF NP_001162589 "stromal interaction molecule 2 isoform 1 precursor [Homo sapiens]" 96.00 754 100.00 100.00 6.20e-96 REF NP_065911 "stromal interaction molecule 2 isoform 2 precursor [Homo sapiens]" 96.00 746 100.00 100.00 6.57e-96 SP P83093 "RecName: Full=Stromal interaction molecule 2; Flags: Precursor" 96.00 746 97.22 99.31 6.54e-93 SP Q9P246 "RecName: Full=Stromal interaction molecule 2; Flags: Precursor" 96.00 746 100.00 100.00 6.57e-96 TPG DAA28777 "TPA: stromal interaction molecule 2-like [Bos taurus]" 96.00 835 97.22 99.31 5.68e-92 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic no _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:21:54 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state 'not present' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $Stromal_Interaction_Molecule_2 Human 9606 Eukaryota Metazoa Homo sapiens STIM2 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 $Stromal_Interaction_Molecule_2 'recombinant technology' . Escherichia coli . pET28a 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 $Stromal_Interaction_Molecule_2 . mM 0.5 0.7 '[U-99% 15N]' TRIS 20 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' $CA 10 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Stromal_Interaction_Molecule_2 . mM 0.5 0.7 '[U-99% 13C; U-99% 15N]' TRIS 20 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' $CA 10 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Stromal_Interaction_Molecule_2 . mM 0.5 0.7 '[U-99% 13C; U-99% 15N]' TRIS 20 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' $CA 10 mM . . 'natural abundance' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version v1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version v2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 105 . mM pH 7.5 . pH pressure 1 . atm temperature 288 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 105 . mM pD 7.9 . pH pressure 1 . atm temperature 288 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 na 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HN(CO)CA' '3D HNCA' '3D HBHA(CO)NH' '2D 1H-13C HSQC' '3D HCCH-COSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Stromal_Interaction_Molecule_2 _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 -5 1 GLY H H 7.718 0.03 1 2 -5 1 GLY N N 115.925 0.3 1 3 -1 5 ALA HB H 1.321 0.03 1 4 -1 5 ALA CB C 19.508 0.3 1 5 0 6 SER H H 8.654 0.001 1 6 0 6 SER HA H 4.605 0.001 1 7 0 6 SER HB2 H 4.022 0.009 2 8 0 6 SER HB3 H 3.921 0.005 2 9 0 6 SER CA C 58.735 0.3 1 10 0 6 SER CB C 64.066 0.3 1 11 0 6 SER N N 119.266 0.3 1 12 62 7 THR H H 8.712 0.03 1 13 62 7 THR HA H 4.480 0.002 1 14 62 7 THR HB H 4.516 0.001 1 15 62 7 THR HG2 H 1.308 0.002 1 16 62 7 THR CA C 61.674 0.3 1 17 62 7 THR CB C 70.387 0.3 1 18 62 7 THR CG2 C 21.766 0.3 1 19 62 7 THR N N 122.839 0.3 1 20 63 8 GLU HA H 4.008 0.03 1 21 63 8 GLU HB2 H 2.060 0.03 2 22 63 8 GLU HB3 H 2.060 0.03 2 23 63 8 GLU HG2 H 2.424 0.03 2 24 63 8 GLU HG3 H 2.276 0.03 2 25 63 8 GLU CA C 59.174 0.3 1 26 63 8 GLU CB C 29.285 0.3 1 27 63 8 GLU CG C 36.580 0.002 1 28 64 9 GLU H H 8.479 0.03 1 29 64 9 GLU HA H 4.149 0.003 1 30 64 9 GLU HB2 H 2.185 0.002 2 31 64 9 GLU HB3 H 2.083 0.002 2 32 64 9 GLU HG2 H 2.339 0.001 2 33 64 9 GLU HG3 H 2.339 0.001 2 34 64 9 GLU CA C 59.692 0.3 1 35 64 9 GLU CB C 29.977 0.001 1 36 64 9 GLU CG C 37.063 0.3 1 37 64 9 GLU N N 118.133 0.3 1 38 65 10 ASP H H 8.184 0.001 1 39 65 10 ASP HA H 4.869 0.004 1 40 65 10 ASP HB2 H 3.035 0.001 2 41 65 10 ASP HB3 H 2.932 0.002 2 42 65 10 ASP CA C 56.973 0.3 1 43 65 10 ASP CB C 40.682 0.3 1 44 65 10 ASP N N 119.294 0.3 1 45 66 11 ARG H H 8.075 0.001 1 46 66 11 ARG HA H 3.798 0.001 1 47 66 11 ARG HB2 H 1.708 0.03 2 48 66 11 ARG HB3 H 1.655 0.001 2 49 66 11 ARG HG2 H 1.431 0.003 2 50 66 11 ARG HG3 H 1.240 0.001 2 51 66 11 ARG HD2 H 2.901 0.001 2 52 66 11 ARG HD3 H 2.947 0.002 2 53 66 11 ARG CA C 59.897 0.3 1 54 66 11 ARG CB C 29.347 0.3 1 55 66 11 ARG CG C 27.300 0.003 1 56 66 11 ARG CD C 43.000 0.3 1 57 66 11 ARG N N 121.246 0.3 1 58 67 12 PHE H H 7.990 0.03 1 59 67 12 PHE HA H 4.397 0.002 1 60 67 12 PHE HB2 H 2.971 0.002 2 61 67 12 PHE HB3 H 2.971 0.002 2 62 67 12 PHE HD1 H 7.257 0.3 3 63 67 12 PHE HD2 H 7.257 0.3 3 64 67 12 PHE HE1 H 7.257 0.3 3 65 67 12 PHE HE2 H 7.257 0.3 3 66 67 12 PHE HZ H 7.257 0.3 1 67 67 12 PHE CA C 60.748 0.3 1 68 67 12 PHE CB C 38.509 0.3 1 69 67 12 PHE N N 116.556 0.3 1 70 68 13 SER H H 8.554 0.002 1 71 68 13 SER HA H 4.457 0.002 1 72 68 13 SER HB2 H 4.141 0.03 2 73 68 13 SER HB3 H 3.997 0.006 2 74 68 13 SER CA C 63.246 0.3 1 75 68 13 SER CB C 62.596 0.3 1 76 68 13 SER N N 118.527 0.3 1 77 69 14 LEU H H 8.775 0.03 1 78 69 14 LEU HA H 3.923 0.001 1 79 69 14 LEU HB2 H 1.408 0.008 2 80 69 14 LEU HB3 H 0.463 0.003 2 81 69 14 LEU HG H 1.038 0.003 1 82 69 14 LEU HD1 H 0.279 0.001 2 83 69 14 LEU HD2 H 0.182 0.001 2 84 69 14 LEU CA C 58.325 0.3 1 85 69 14 LEU CB C 39.803 0.001 1 86 69 14 LEU CG C 26.688 0.3 1 87 69 14 LEU CD1 C 25.256 0.3 2 88 69 14 LEU CD2 C 21.270 0.3 2 89 69 14 LEU N N 125.009 0.3 1 90 70 15 GLU H H 7.773 0.001 1 91 70 15 GLU HA H 3.953 0.001 1 92 70 15 GLU HB2 H 2.052 0.003 2 93 70 15 GLU HB3 H 2.052 0.003 2 94 70 15 GLU HG2 H 2.383 0.001 2 95 70 15 GLU HG3 H 2.192 0.001 2 96 70 15 GLU CA C 59.239 0.3 1 97 70 15 GLU CB C 29.265 0.3 1 98 70 15 GLU CG C 36.521 0.002 1 99 70 15 GLU N N 118.386 0.3 1 100 71 16 ALA H H 7.656 0.03 1 101 71 16 ALA HA H 4.120 0.03 1 102 71 16 ALA HB H 1.416 0.03 1 103 71 16 ALA CA C 55.114 0.3 1 104 71 16 ALA CB C 18.698 0.3 1 105 71 16 ALA N N 121.550 0.3 1 106 72 17 LEU H H 8.472 0.002 1 107 72 17 LEU HA H 3.909 0.002 1 108 72 17 LEU HB2 H 1.969 0.007 2 109 72 17 LEU HB3 H 1.372 0.004 2 110 72 17 LEU HG H 1.614 0.002 1 111 72 17 LEU HD1 H 0.719 0.003 2 112 72 17 LEU HD2 H 0.546 0.03 2 113 72 17 LEU CA C 58.101 0.3 1 114 72 17 LEU CB C 41.163 0.3 1 115 72 17 LEU CG C 27.846 0.3 1 116 72 17 LEU CD1 C 25.367 0.3 2 117 72 17 LEU CD2 C 22.689 0.3 2 118 72 17 LEU N N 118.297 0.3 1 119 73 18 GLN H H 8.953 0.002 1 120 73 18 GLN HA H 3.953 0.008 1 121 73 18 GLN HB2 H 2.263 0.007 2 122 73 18 GLN HB3 H 2.022 0.005 2 123 73 18 GLN HE21 H 6.749 0.006 2 124 73 18 GLN HE22 H 7.108 0.03 2 125 73 18 GLN CA C 59.539 0.3 1 126 73 18 GLN CB C 28.211 0.3 1 127 73 18 GLN N N 119.545 0.3 1 128 73 18 GLN NE2 N 110.351 0.011 1 129 74 19 THR H H 7.913 0.003 1 130 74 19 THR HA H 3.926 0.001 1 131 74 19 THR HB H 4.589 0.004 1 132 74 19 THR HG2 H 1.258 0.005 1 133 74 19 THR CA C 66.867 0.3 1 134 74 19 THR CB C 68.352 0.3 1 135 74 19 THR CG2 C 21.790 0.3 1 136 74 19 THR N N 119.206 0.3 1 137 75 20 ILE H H 8.258 0.001 1 138 75 20 ILE HA H 3.612 0.001 1 139 75 20 ILE HB H 1.671 0.001 1 140 75 20 ILE HG12 H 1.760 0.001 2 141 75 20 ILE HG13 H 0.960 0.001 2 142 75 20 ILE HG2 H 0.611 0.003 1 143 75 20 ILE HD1 H 0.569 0.001 1 144 75 20 ILE CA C 65.230 0.3 1 145 75 20 ILE CB C 38.772 0.3 1 146 75 20 ILE CG1 C 29.282 0.3 1 147 75 20 ILE CG2 C 17.085 0.3 1 148 75 20 ILE CD1 C 13.568 0.3 1 149 75 20 ILE N N 124.363 0.3 1 150 76 21 HIS H H 8.806 0.03 1 151 76 21 HIS HA H 3.511 0.003 1 152 76 21 HIS HB2 H 3.197 0.003 2 153 76 21 HIS HB3 H 2.958 0.003 2 154 76 21 HIS HD2 H 6.400 0.03 1 155 76 21 HIS CA C 61.732 0.3 1 156 76 21 HIS CB C 31.917 0.003 1 157 76 21 HIS N N 120.027 0.3 1 158 77 22 LYS H H 8.055 0.001 1 159 77 22 LYS HA H 4.074 0.03 1 160 77 22 LYS HB2 H 2.048 0.001 2 161 77 22 LYS HB3 H 1.959 0.03 2 162 77 22 LYS HG2 H 1.555 0.002 2 163 77 22 LYS HG3 H 1.686 0.03 2 164 77 22 LYS HD2 H 1.755 0.001 2 165 77 22 LYS HD3 H 1.755 0.001 2 166 77 22 LYS HE2 H 2.980 0.03 2 167 77 22 LYS HE3 H 2.980 0.03 2 168 77 22 LYS CA C 59.214 0.3 1 169 77 22 LYS CB C 32.696 0.001 1 170 77 22 LYS CG C 25.551 0.3 1 171 77 22 LYS CD C 29.469 0.3 1 172 77 22 LYS CE C 41.839 0.3 1 173 77 22 LYS N N 116.304 0.3 1 174 78 23 GLN H H 7.743 0.003 1 175 78 23 GLN HA H 3.956 0.03 1 176 78 23 GLN HB2 H 2.162 0.002 2 177 78 23 GLN HB3 H 2.262 0.001 2 178 78 23 GLN HG2 H 2.549 0.003 2 179 78 23 GLN HG3 H 2.396 0.001 2 180 78 23 GLN CA C 58.189 0.3 1 181 78 23 GLN CB C 28.314 0.3 1 182 78 23 GLN CG C 33.847 0.3 1 183 78 23 GLN N N 117.291 0.3 1 184 79 24 MET H H 7.557 0.002 1 185 79 24 MET HA H 3.765 0.001 1 186 79 24 MET HB2 H 1.456 0.003 2 187 79 24 MET HB3 H 1.456 0.003 2 188 79 24 MET HG2 H 1.932 0.003 2 189 79 24 MET HG3 H 1.932 0.003 2 190 79 24 MET HE H 1.508 0.03 1 191 79 24 MET CA C 58.463 0.3 1 192 79 24 MET CB C 35.142 0.3 1 193 79 24 MET CG C 31.021 0.3 1 194 79 24 MET CE C 15.807 0.3 1 195 79 24 MET N N 116.543 0.3 1 196 80 25 ASP H H 7.893 0.03 1 197 80 25 ASP HA H 4.480 0.001 1 198 80 25 ASP HB2 H 2.676 0.03 2 199 80 25 ASP HB3 H 1.690 0.002 2 200 80 25 ASP CA C 52.449 0.3 1 201 80 25 ASP CB C 38.871 0.001 1 202 80 25 ASP N N 117.043 0.3 1 203 81 26 ASP H H 7.726 0.002 1 204 81 26 ASP HA H 4.358 0.03 1 205 81 26 ASP HB2 H 2.819 0.03 2 206 81 26 ASP HB3 H 2.739 0.03 2 207 81 26 ASP CA C 57.678 0.3 1 208 81 26 ASP CB C 41.576 0.002 1 209 81 26 ASP N N 127.878 0.3 1 210 82 27 ASP H H 8.386 0.004 1 211 82 27 ASP HA H 4.521 0.03 1 212 82 27 ASP HB2 H 3.099 0.001 2 213 82 27 ASP HB3 H 2.689 0.001 2 214 82 27 ASP CA C 53.099 0.3 1 215 82 27 ASP CB C 38.923 0.003 1 216 82 27 ASP N N 114.053 0.3 1 217 83 28 LYS H H 7.827 0.004 1 218 83 28 LYS HA H 3.922 0.03 1 219 83 28 LYS HB2 H 2.054 0.03 2 220 83 28 LYS HB3 H 1.994 0.03 2 221 83 28 LYS HG2 H 1.403 0.001 2 222 83 28 LYS HG3 H 1.403 0.001 2 223 83 28 LYS HD2 H 1.818 0.03 2 224 83 28 LYS HD3 H 1.818 0.03 2 225 83 28 LYS HE2 H 3.079 0.001 2 226 83 28 LYS HE3 H 3.031 0.03 2 227 83 28 LYS CA C 57.027 0.3 1 228 83 28 LYS CB C 28.690 0.002 1 229 83 28 LYS CG C 24.556 0.3 1 230 83 28 LYS CD C 28.304 0.3 1 231 83 28 LYS CE C 42.229 0.006 1 232 83 28 LYS N N 114.050 0.3 1 233 84 29 ASP H H 8.342 0.03 1 234 84 29 ASP HA H 4.513 0.03 1 235 84 29 ASP HB2 H 3.166 0.001 2 236 84 29 ASP HB3 H 2.583 0.03 2 237 84 29 ASP CA C 53.405 0.3 1 238 84 29 ASP CB C 40.099 0.005 1 239 84 29 ASP N N 118.552 0.3 1 240 85 30 GLY H H 10.317 0.005 1 241 85 30 GLY HA2 H 4.527 0.001 2 242 85 30 GLY HA3 H 3.554 0.006 2 243 85 30 GLY CA C 45.104 0.3 1 244 85 30 GLY N N 112.552 0.3 1 245 86 31 GLY H H 8.258 0.002 1 246 86 31 GLY HA2 H 4.257 0.008 2 247 86 31 GLY HA3 H 4.257 0.008 2 248 86 31 GLY CA C 41.510 0.3 1 249 86 31 GLY N N 109.090 0.3 1 250 87 32 ILE H H 9.295 0.002 1 251 87 32 ILE HA H 4.010 0.005 1 252 87 32 ILE HB H 1.684 0.03 1 253 87 32 ILE HG12 H 0.292 0.003 2 254 87 32 ILE HG13 H 0.970 0.03 2 255 87 32 ILE HG2 H 0.918 0.001 1 256 87 32 ILE HD1 H 0.671 0.001 1 257 87 32 ILE CA C 62.590 0.3 1 258 87 32 ILE CB C 38.760 0.3 1 259 87 32 ILE CG1 C 26.244 0.3 1 260 87 32 ILE CG2 C 18.876 0.3 1 261 87 32 ILE CD1 C 15.797 0.3 1 262 87 32 ILE N N 128.806 0.3 1 263 88 33 GLU H H 9.163 0.004 1 264 88 33 GLU HA H 4.818 0.003 1 265 88 33 GLU HB2 H 1.699 0.03 2 266 88 33 GLU HB3 H 1.699 0.03 2 267 88 33 GLU HG2 H 2.630 0.001 2 268 88 33 GLU HG3 H 2.630 0.001 2 269 88 33 GLU CA C 54.933 0.3 1 270 88 33 GLU CB C 32.773 0.3 1 271 88 33 GLU CG C 37.548 0.3 1 272 88 33 GLU N N 132.288 0.3 1 273 89 34 VAL H H 8.898 0.003 1 274 89 34 VAL HA H 3.499 0.002 1 275 89 34 VAL HB H 1.939 0.03 1 276 89 34 VAL HG1 H 0.846 0.002 2 277 89 34 VAL HG2 H 0.642 0.001 2 278 89 34 VAL CA C 65.908 0.3 1 279 89 34 VAL CB C 31.252 0.3 1 280 89 34 VAL CG1 C 20.092 0.3 2 281 89 34 VAL CG2 C 20.365 0.3 2 282 89 34 VAL N N 119.206 0.3 1 283 90 35 GLU H H 9.457 0.001 1 284 90 35 GLU HA H 4.275 0.004 1 285 90 35 GLU HB2 H 2.081 0.001 2 286 90 35 GLU HB3 H 2.081 0.001 2 287 90 35 GLU HG2 H 2.370 0.03 2 288 90 35 GLU HG3 H 2.370 0.03 2 289 90 35 GLU CA C 59.419 0.3 1 290 90 35 GLU CB C 28.472 0.3 1 291 90 35 GLU CG C 36.317 0.3 1 292 90 35 GLU N N 118.546 0.3 1 293 91 36 GLU H H 7.161 0.003 1 294 91 36 GLU HA H 4.361 0.001 1 295 91 36 GLU HB2 H 2.641 0.007 2 296 91 36 GLU HB3 H 2.641 0.007 2 297 91 36 GLU HG2 H 2.401 0.001 2 298 91 36 GLU HG3 H 2.401 0.001 2 299 91 36 GLU CA C 57.590 0.3 1 300 91 36 GLU CB C 28.800 0.3 1 301 91 36 GLU CG C 36.644 0.3 1 302 91 36 GLU N N 118.835 0.3 1 303 92 37 SER H H 9.064 0.03 1 304 92 37 SER N N 118.386 0.3 1 305 93 38 ASP H H 8.071 0.03 1 306 93 38 ASP HA H 4.215 0.03 1 307 93 38 ASP HB2 H 2.545 0.03 2 308 93 38 ASP HB3 H 2.545 0.03 2 309 93 38 ASP CA C 58.189 0.3 1 310 93 38 ASP CB C 41.646 0.3 1 311 93 38 ASP N N 122.496 0.3 1 312 94 39 GLU H H 7.336 0.03 1 313 94 39 GLU HA H 3.954 0.002 1 314 94 39 GLU HB2 H 2.254 0.001 2 315 94 39 GLU HB3 H 2.254 0.001 2 316 94 39 GLU HG2 H 2.388 0.001 2 317 94 39 GLU HG3 H 2.388 0.001 2 318 94 39 GLU CA C 59.807 0.3 1 319 94 39 GLU CB C 29.925 0.3 1 320 94 39 GLU CG C 36.452 0.3 1 321 94 39 GLU N N 116.529 0.3 1 322 95 40 PHE H H 8.029 0.003 1 323 95 40 PHE HA H 4.721 0.03 1 324 95 40 PHE HB2 H 3.523 0.002 2 325 95 40 PHE HB3 H 3.208 0.006 2 326 95 40 PHE HD1 H 7.275 0.3 3 327 95 40 PHE HD2 H 7.275 0.3 3 328 95 40 PHE HE1 H 7.275 0.3 3 329 95 40 PHE HE2 H 7.275 0.3 3 330 95 40 PHE HZ H 7.275 0.3 1 331 95 40 PHE CA C 60.785 0.3 1 332 95 40 PHE CB C 40.269 0.003 1 333 95 40 PHE N N 120.042 0.3 1 334 96 41 ILE H H 8.876 0.03 1 335 96 41 ILE HA H 3.561 0.002 1 336 96 41 ILE HB H 2.100 0.003 1 337 96 41 ILE HG12 H 2.329 0.003 2 338 96 41 ILE HG13 H 1.173 0.001 2 339 96 41 ILE HG2 H 0.966 0.03 1 340 96 41 ILE HD1 H 0.969 0.03 1 341 96 41 ILE CA C 65.230 0.3 1 342 96 41 ILE CB C 39.073 0.3 1 343 96 41 ILE CG1 C 30.472 0.005 1 344 96 41 ILE CG2 C 18.848 0.3 1 345 96 41 ILE CD1 C 14.742 0.3 1 346 96 41 ILE N N 119.558 0.3 1 347 97 42 ARG H H 7.868 0.001 1 348 97 42 ARG HA H 4.349 0.002 1 349 97 42 ARG HB2 H 1.820 0.03 2 350 97 42 ARG HB3 H 1.820 0.03 2 351 97 42 ARG HG2 H 1.539 0.03 2 352 97 42 ARG HG3 H 1.539 0.03 2 353 97 42 ARG HD2 H 3.273 0.003 2 354 97 42 ARG HD3 H 3.190 0.03 2 355 97 42 ARG CA C 59.009 0.3 1 356 97 42 ARG CB C 31.941 0.3 1 357 97 42 ARG CG C 28.858 0.3 1 358 97 42 ARG CD C 42.954 0.002 1 359 97 42 ARG N N 116.058 0.3 1 360 98 43 GLU H H 8.839 0.002 1 361 98 43 GLU HA H 4.318 0.03 1 362 98 43 GLU HB2 H 2.001 0.03 2 363 98 43 GLU HB3 H 2.123 0.03 2 364 98 43 GLU HG2 H 2.396 0.03 2 365 98 43 GLU HG3 H 2.210 0.03 2 366 98 43 GLU CA C 57.505 0.3 1 367 98 43 GLU CB C 29.963 0.3 1 368 98 43 GLU CG C 35.903 0.3 1 369 98 43 GLU N N 116.058 0.3 1 370 99 44 ASP H H 8.016 0.03 1 371 99 44 ASP HA H 4.394 0.03 1 372 99 44 ASP HB2 H 1.995 0.03 2 373 99 44 ASP HB3 H 1.907 0.002 2 374 99 44 ASP CA C 56.617 0.3 1 375 99 44 ASP CB C 40.263 0.001 1 376 99 44 ASP N N 119.675 0.3 1 377 100 45 MET H H 7.656 0.03 1 378 100 45 MET HA H 4.124 0.005 1 379 100 45 MET HB2 H 2.196 0.03 2 380 100 45 MET HB3 H 2.196 0.03 2 381 100 45 MET HG2 H 2.126 0.001 2 382 100 45 MET HG3 H 2.126 0.001 2 383 100 45 MET HE H 2.082 0.002 1 384 100 45 MET CA C 55.735 0.3 1 385 100 45 MET CB C 32.075 0.3 1 386 100 45 MET CG C 32.425 0.3 1 387 100 45 MET CE C 16.736 0.3 1 388 100 45 MET N N 113.800 0.3 1 389 101 46 LYS H H 6.510 0.003 1 390 101 46 LYS HA H 3.875 0.03 1 391 101 46 LYS HB2 H 1.933 0.001 2 392 101 46 LYS HB3 H 1.840 0.03 2 393 101 46 LYS HG2 H 1.130 0.001 2 394 101 46 LYS HG3 H 1.130 0.001 2 395 101 46 LYS HD2 H 1.647 0.03 2 396 101 46 LYS HD3 H 1.541 0.002 2 397 101 46 LYS HE2 H 3.000 0.03 2 398 101 46 LYS HE3 H 3.000 0.03 2 399 101 46 LYS CA C 56.480 0.3 1 400 101 46 LYS CB C 28.502 0.3 1 401 101 46 LYS CG C 24.715 0.3 1 402 101 46 LYS CD C 27.965 0.092 1 403 101 46 LYS CE C 42.201 0.3 1 404 101 46 LYS N N 109.552 0.3 1 405 102 47 TYR H H 8.012 0.001 1 406 102 47 TYR HA H 4.662 0.005 1 407 102 47 TYR HB2 H 2.855 0.001 2 408 102 47 TYR HB3 H 2.756 0.001 2 409 102 47 TYR HD1 H 7.027 0.03 3 410 102 47 TYR HD2 H 7.027 0.03 3 411 102 47 TYR HE1 H 6.836 0.03 3 412 102 47 TYR HE2 H 6.836 0.03 3 413 102 47 TYR CA C 57.095 0.3 1 414 102 47 TYR CB C 37.688 0.003 1 415 102 47 TYR N N 118.822 0.3 1 416 103 48 LYS H H 8.571 0.03 1 417 103 48 LYS HA H 4.185 0.001 1 418 103 48 LYS HB2 H 1.828 0.001 2 419 103 48 LYS HB3 H 1.828 0.001 2 420 103 48 LYS HG2 H 1.524 0.001 2 421 103 48 LYS HG3 H 1.448 0.001 2 422 103 48 LYS HD2 H 1.698 0.03 2 423 103 48 LYS HD3 H 1.698 0.03 2 424 103 48 LYS HE2 H 3.000 0.002 2 425 103 48 LYS HE3 H 3.000 0.002 2 426 103 48 LYS CA C 57.472 0.3 1 427 103 48 LYS CB C 32.274 0.3 1 428 103 48 LYS CG C 24.574 0.004 1 429 103 48 LYS CD C 27.116 0.3 1 430 103 48 LYS CE C 41.903 0.3 1 431 103 48 LYS N N 122.370 0.3 1 432 104 49 ASP H H 7.085 0.03 1 433 104 49 ASP HA H 4.672 0.004 1 434 104 49 ASP HB2 H 2.781 0.004 2 435 104 49 ASP HB3 H 2.561 0.03 2 436 104 49 ASP CA C 53.405 0.3 1 437 104 49 ASP CB C 40.486 0.005 1 438 104 49 ASP N N 118.738 0.3 1 439 105 50 ALA H H 8.315 0.001 1 440 105 50 ALA HA H 4.167 0.003 1 441 105 50 ALA HB H 1.383 0.002 1 442 105 50 ALA CA C 53.269 0.3 1 443 105 50 ALA CB C 19.559 0.3 1 444 105 50 ALA N N 123.004 0.3 1 445 106 51 THR H H 8.250 0.03 1 446 106 51 THR HA H 4.130 0.03 1 447 106 51 THR HB H 4.206 0.001 1 448 106 51 THR HG2 H 0.935 0.03 1 449 106 51 THR CA C 63.861 0.3 1 450 106 51 THR CB C 68.783 0.3 1 451 106 51 THR CG2 C 22.443 0.3 1 452 106 51 THR N N 113.699 0.3 1 453 107 52 ASN HA H 4.502 0.002 1 454 107 52 ASN HB2 H 2.768 0.03 2 455 107 52 ASN HB3 H 2.768 0.03 2 456 107 52 ASN CA C 55.571 0.3 1 457 107 52 ASN CB C 37.683 0.3 1 458 109 54 HIS HA H 3.923 0.001 1 459 109 54 HIS HB2 H 1.973 0.002 2 460 109 54 HIS HB3 H 1.973 0.002 2 461 109 54 HIS CA C 59.189 0.3 1 462 109 54 HIS CB C 31.590 0.3 1 463 110 55 SER H H 8.345 0.03 1 464 110 55 SER HA H 4.481 0.03 1 465 110 55 SER HB2 H 3.905 0.001 2 466 110 55 SER HB3 H 3.905 0.001 2 467 110 55 SER CA C 60.852 0.3 1 468 110 55 SER CB C 62.630 0.3 1 469 110 55 SER N N 119.700 0.3 1 470 111 56 HIS H H 7.830 0.03 1 471 111 56 HIS HA H 4.386 0.005 1 472 111 56 HIS HB2 H 3.263 0.002 2 473 111 56 HIS HB3 H 3.263 0.002 2 474 111 56 HIS CA C 59.141 0.3 1 475 111 56 HIS CB C 30.813 0.3 1 476 111 56 HIS N N 121.400 0.3 1 477 112 57 LEU H H 8.086 0.03 1 478 112 57 LEU HA H 4.062 0.002 1 479 112 57 LEU HB2 H 1.913 0.03 2 480 112 57 LEU HB3 H 1.913 0.03 2 481 112 57 LEU HG H 0.823 0.002 1 482 112 57 LEU HD1 H 0.725 0.001 2 483 112 57 LEU HD2 H 0.672 0.001 2 484 112 57 LEU CA C 57.733 0.3 1 485 112 57 LEU CB C 42.228 0.033 1 486 112 57 LEU CG C 26.269 0.3 1 487 112 57 LEU CD1 C 26.092 0.3 2 488 112 57 LEU CD2 C 22.607 0.3 2 489 112 57 LEU N N 120.613 0.3 1 490 113 58 HIS H H 7.411 0.001 1 491 113 58 HIS HA H 4.832 0.03 1 492 113 58 HIS HB2 H 3.195 0.03 2 493 113 58 HIS HB3 H 2.697 0.007 2 494 113 58 HIS CA C 55.881 0.3 1 495 113 58 HIS CB C 28.459 0.005 1 496 113 58 HIS N N 111.313 0.3 1 497 114 59 ARG H H 7.572 0.001 1 498 114 59 ARG HA H 3.955 0.001 1 499 114 59 ARG HB2 H 1.825 0.002 2 500 114 59 ARG HB3 H 1.825 0.002 2 501 114 59 ARG HG2 H 1.648 0.004 2 502 114 59 ARG HG3 H 1.648 0.004 2 503 114 59 ARG HD2 H 3.185 0.002 2 504 114 59 ARG HD3 H 3.185 0.002 2 505 114 59 ARG CA C 59.663 0.3 1 506 114 59 ARG CB C 29.355 0.3 1 507 114 59 ARG CG C 26.541 0.3 1 508 114 59 ARG CD C 43.158 0.3 1 509 114 59 ARG N N 121.834 0.3 1 510 115 60 GLU H H 8.679 0.002 1 511 115 60 GLU HA H 4.497 0.003 1 512 115 60 GLU HB2 H 2.132 0.002 2 513 115 60 GLU HB3 H 1.846 0.001 2 514 115 60 GLU HG2 H 2.179 0.03 2 515 115 60 GLU HG3 H 2.179 0.03 2 516 115 60 GLU CA C 55.934 0.3 1 517 115 60 GLU CB C 31.051 0.012 1 518 115 60 GLU CG C 36.328 0.3 1 519 115 60 GLU N N 114.570 0.3 1 520 116 61 ASP H H 7.993 0.002 1 521 116 61 ASP HA H 4.748 0.003 1 522 116 61 ASP HB2 H 2.920 0.003 2 523 116 61 ASP HB3 H 2.461 0.001 2 524 116 61 ASP CA C 53.610 0.3 1 525 116 61 ASP CB C 41.656 0.038 1 526 116 61 ASP N N 120.215 0.3 1 527 117 62 LYS H H 9.087 0.03 1 528 117 62 LYS HA H 4.271 0.03 1 529 117 62 LYS HB2 H 2.189 0.004 2 530 117 62 LYS HB3 H 2.189 0.004 2 531 117 62 LYS HG2 H 1.585 0.001 2 532 117 62 LYS HG3 H 1.433 0.03 2 533 117 62 LYS HD2 H 1.639 0.03 2 534 117 62 LYS HD3 H 1.639 0.03 2 535 117 62 LYS HE2 H 2.974 0.03 2 536 117 62 LYS HE3 H 2.974 0.03 2 537 117 62 LYS CA C 55.387 0.3 1 538 117 62 LYS CB C 32.075 0.3 1 539 117 62 LYS CG C 25.308 0.014 1 540 117 62 LYS CD C 28.056 0.3 1 541 117 62 LYS CE C 42.133 0.3 1 542 117 62 LYS N N 125.300 0.3 1 543 118 63 HIS H H 8.790 0.003 1 544 118 63 HIS HA H 4.499 0.03 1 545 118 63 HIS HB2 H 3.287 0.005 2 546 118 63 HIS HB3 H 3.287 0.005 2 547 118 63 HIS CA C 57.095 0.3 1 548 118 63 HIS CB C 30.892 0.3 1 549 118 63 HIS N N 122.550 0.3 1 550 119 64 ILE H H 8.995 0.03 1 551 119 64 ILE HA H 4.560 0.003 1 552 119 64 ILE HB H 1.955 0.002 1 553 119 64 ILE HG12 H 1.440 0.001 2 554 119 64 ILE HG13 H 0.904 0.03 2 555 119 64 ILE HG2 H 0.983 0.03 1 556 119 64 ILE HD1 H 0.464 0.03 1 557 119 64 ILE CA C 61.706 0.3 1 558 119 64 ILE CB C 38.986 0.3 1 559 119 64 ILE CG1 C 27.424 0.002 1 560 119 64 ILE CG2 C 17.577 0.3 1 561 119 64 ILE CD1 C 13.149 0.3 1 562 119 64 ILE N N 130.354 0.3 1 563 120 65 THR H H 10.003 0.03 1 564 120 65 THR HA H 5.302 0.002 1 565 120 65 THR HB H 4.856 0.003 1 566 120 65 THR HG2 H 1.453 0.003 1 567 120 65 THR CA C 61.605 0.3 1 568 120 65 THR CB C 71.746 0.3 1 569 120 65 THR CG2 C 21.705 0.3 1 570 120 65 THR N N 127.292 0.3 1 571 121 66 ILE H H 9.154 0.001 1 572 121 66 ILE HA H 3.787 0.005 1 573 121 66 ILE HB H 1.139 0.001 1 574 121 66 ILE HG12 H 1.064 0.03 2 575 121 66 ILE HG13 H 0.863 0.001 2 576 121 66 ILE HG2 H 0.771 0.003 1 577 121 66 ILE HD1 H 0.796 0.001 1 578 121 66 ILE CA C 62.216 0.3 1 579 121 66 ILE CB C 36.931 0.3 1 580 121 66 ILE CG1 C 29.220 0.3 1 581 121 66 ILE CG2 C 18.392 0.3 1 582 121 66 ILE CD1 C 13.697 0.3 1 583 121 66 ILE N N 121.457 0.3 1 584 122 67 GLU H H 8.286 0.002 1 585 122 67 GLU HA H 4.046 0.002 1 586 122 67 GLU HB2 H 1.944 0.03 2 587 122 67 GLU HB3 H 2.030 0.03 2 588 122 67 GLU HG2 H 2.261 0.001 2 589 122 67 GLU HG3 H 2.424 0.004 2 590 122 67 GLU CA C 60.512 0.3 1 591 122 67 GLU CB C 28.495 0.002 1 592 122 67 GLU CG C 36.958 0.002 1 593 122 67 GLU N N 122.547 0.3 1 594 123 68 ASP H H 7.800 0.004 1 595 123 68 ASP HA H 4.321 0.03 1 596 123 68 ASP HB2 H 3.213 0.003 2 597 123 68 ASP HB3 H 2.808 0.03 2 598 123 68 ASP CA C 56.754 0.3 1 599 123 68 ASP CB C 41.071 0.020 1 600 123 68 ASP N N 120.047 0.3 1 601 124 69 LEU H H 8.688 0.03 1 602 124 69 LEU HA H 3.953 0.002 1 603 124 69 LEU HB2 H 2.029 0.002 2 604 124 69 LEU HB3 H 1.504 0.03 2 605 124 69 LEU HG H 1.675 0.03 1 606 124 69 LEU HD1 H 0.846 0.03 2 607 124 69 LEU HD2 H 0.812 0.004 2 608 124 69 LEU CA C 57.642 0.3 1 609 124 69 LEU CB C 42.749 0.3 1 610 124 69 LEU CG C 26.340 0.3 1 611 124 69 LEU CD1 C 22.354 0.3 2 612 124 69 LEU CD2 C 22.989 0.3 2 613 124 69 LEU N N 123.308 0.3 1 614 125 70 TRP H H 9.002 0.003 1 615 125 70 TRP HA H 4.545 0.014 1 616 125 70 TRP HB2 H 3.153 0.002 2 617 125 70 TRP HB3 H 3.336 0.007 2 618 125 70 TRP HD1 H 7.479 0.03 1 619 125 70 TRP HE1 H 10.681 0.002 1 620 125 70 TRP CA C 59.653 0.3 1 621 125 70 TRP CB C 30.059 0.005 1 622 125 70 TRP N N 120.304 0.3 1 623 125 70 TRP NE1 N 126.661 0.3 1 624 126 71 LYS H H 8.031 0.03 1 625 126 71 LYS HA H 3.723 0.004 1 626 126 71 LYS HB2 H 1.916 0.002 2 627 126 71 LYS HB3 H 1.855 0.003 2 628 126 71 LYS HG2 H 1.429 0.003 2 629 126 71 LYS HG3 H 1.429 0.001 2 630 126 71 LYS HD2 H 1.691 0.002 2 631 126 71 LYS HD3 H 1.691 0.002 2 632 126 71 LYS HE2 H 2.927 0.001 2 633 126 71 LYS HE3 H 2.927 0.001 2 634 126 71 LYS CA C 59.690 0.3 1 635 126 71 LYS CB C 31.866 0.3 1 636 126 71 LYS CG C 25.252 0.001 1 637 126 71 LYS CD C 29.107 0.3 1 638 126 71 LYS CE C 41.813 0.3 1 639 126 71 LYS N N 117.036 0.3 1 640 127 72 ARG H H 7.897 0.003 1 641 127 72 ARG HA H 3.737 0.004 1 642 127 72 ARG HB2 H 1.896 0.03 2 643 127 72 ARG HB3 H 1.896 0.03 2 644 127 72 ARG HG2 H 1.668 0.001 2 645 127 72 ARG HG3 H 1.668 0.001 2 646 127 72 ARG HD2 H 3.281 0.004 2 647 127 72 ARG HD3 H 3.281 0.004 2 648 127 72 ARG CA C 58.848 0.3 1 649 127 72 ARG CB C 29.422 0.3 1 650 127 72 ARG CG C 26.974 0.3 1 651 127 72 ARG CD C 43.053 0.3 1 652 127 72 ARG N N 119.441 0.3 1 653 128 73 TRP H H 8.187 0.003 1 654 128 73 TRP HA H 4.731 0.004 1 655 128 73 TRP HB2 H 3.172 0.001 2 656 128 73 TRP HB3 H 3.172 0.001 2 657 128 73 TRP HD1 H 7.694 0.03 1 658 128 73 TRP HE1 H 10.052 0.004 1 659 128 73 TRP HE3 H 8.204 0.03 1 660 128 73 TRP CA C 58.872 0.3 1 661 128 73 TRP CB C 29.795 0.3 1 662 128 73 TRP N N 120.297 0.3 1 663 128 73 TRP NE1 N 128.103 0.3 1 664 129 74 LYS H H 8.110 0.03 1 665 129 74 LYS HA H 2.412 0.003 1 666 129 74 LYS HB2 H 1.200 0.002 2 667 129 74 LYS HB3 H 0.997 0.003 2 668 129 74 LYS HG2 H 0.362 0.03 2 669 129 74 LYS HG3 H 0.304 0.03 2 670 129 74 LYS HD2 H 0.895 0.001 2 671 129 74 LYS HD3 H 0.895 0.001 2 672 129 74 LYS HE2 H 2.587 0.004 2 673 129 74 LYS HE3 H 2.587 0.004 2 674 129 74 LYS CA C 55.918 0.3 1 675 129 74 LYS CB C 29.643 0.003 1 676 129 74 LYS CG C 22.913 0.007 1 677 129 74 LYS CD C 26.097 0.3 1 678 129 74 LYS CE C 40.812 0.3 1 679 129 74 LYS N N 115.456 0.3 1 680 130 75 THR H H 6.969 0.002 1 681 130 75 THR HA H 4.119 0.004 1 682 130 75 THR HB H 4.310 0.004 1 683 130 75 THR HG2 H 1.043 0.002 1 684 130 75 THR CA C 60.512 0.3 1 685 130 75 THR CB C 69.348 0.3 1 686 130 75 THR CG2 C 21.213 0.3 1 687 130 75 THR N N 106.297 0.3 1 688 131 76 SER H H 7.226 0.03 1 689 131 76 SER HA H 4.267 0.03 1 690 131 76 SER HB2 H 4.147 0.001 2 691 131 76 SER HB3 H 4.086 0.003 2 692 131 76 SER CA C 58.189 0.3 1 693 131 76 SER CB C 64.681 0.3 1 694 131 76 SER N N 120.027 0.3 1 695 132 77 GLU H H 8.814 0.03 1 696 132 77 GLU HA H 4.054 0.03 1 697 132 77 GLU HB2 H 2.043 0.004 2 698 132 77 GLU HB3 H 2.043 0.004 2 699 132 77 GLU HG2 H 2.397 0.03 2 700 132 77 GLU HG3 H 2.293 0.03 2 701 132 77 GLU CA C 58.872 0.3 1 702 132 77 GLU CB C 29.540 0.3 1 703 132 77 GLU CG C 36.504 0.002 1 704 132 77 GLU N N 122.136 0.3 1 705 133 78 VAL H H 7.296 0.001 1 706 133 78 VAL HA H 1.582 0.003 1 707 133 78 VAL HB H 1.383 0.003 1 708 133 78 VAL HG1 H 0.384 0.004 2 709 133 78 VAL HG2 H -0.289 0.002 2 710 133 78 VAL CA C 64.131 0.3 1 711 133 78 VAL CB C 30.776 0.3 1 712 133 78 VAL CG1 C 21.758 0.3 2 713 133 78 VAL CG2 C 20.371 0.3 2 714 133 78 VAL N N 120.053 0.3 1 715 134 79 HIS H H 6.489 0.03 1 716 134 79 HIS HA H 2.912 0.03 1 717 134 79 HIS HB2 H 2.024 0.03 2 718 134 79 HIS HB3 H 1.022 0.03 2 719 134 79 HIS CA C 58.916 0.3 1 720 134 79 HIS CB C 27.177 0.009 1 721 134 79 HIS N N 117.313 0.3 1 722 135 80 ASN H H 6.844 0.03 1 723 135 80 ASN HA H 4.639 0.004 1 724 135 80 ASN HB2 H 3.115 0.007 2 725 135 80 ASN HB3 H 2.750 0.009 2 726 135 80 ASN HD21 H 7.786 0.001 2 727 135 80 ASN HD22 H 6.828 0.006 2 728 135 80 ASN CA C 51.902 0.3 1 729 135 80 ASN CB C 38.766 0.006 1 730 135 80 ASN N N 111.532 0.017 1 731 135 80 ASN ND2 N 115.228 0.3 1 732 136 81 TRP H H 8.105 0.002 1 733 136 81 TRP HA H 5.118 0.005 1 734 136 81 TRP HB2 H 3.260 0.004 2 735 136 81 TRP HB3 H 3.260 0.004 2 736 136 81 TRP HD1 H 6.934 0.003 1 737 136 81 TRP HE1 H 10.105 0.005 1 738 136 81 TRP CA C 56.207 0.3 1 739 136 81 TRP CB C 30.213 0.3 1 740 136 81 TRP N N 123.075 0.3 1 741 136 81 TRP NE1 N 125.536 0.3 1 742 137 82 THR H H 9.744 0.03 1 743 137 82 THR HA H 4.521 0.003 1 744 137 82 THR HB H 4.913 0.005 1 745 137 82 THR HG2 H 1.503 0.005 1 746 137 82 THR CA C 60.649 0.3 1 747 137 82 THR CB C 72.405 0.3 1 748 137 82 THR CG2 C 21.951 0.3 1 749 137 82 THR N N 117.306 0.3 1 750 138 83 LEU H H 9.502 0.004 1 751 138 83 LEU HA H 4.575 0.003 1 752 138 83 LEU HB2 H 1.870 0.007 2 753 138 83 LEU HB3 H 1.870 0.007 2 754 138 83 LEU HG H 1.697 0.001 1 755 138 83 LEU HD1 H 1.037 0.003 2 756 138 83 LEU HD2 H 1.129 0.002 2 757 138 83 LEU CA C 59.002 0.3 1 758 138 83 LEU CB C 41.883 0.3 1 759 138 83 LEU CG C 27.433 0.3 1 760 138 83 LEU CD1 C 26.339 0.3 2 761 138 83 LEU CD2 C 25.108 0.3 2 762 138 83 LEU N N 125.536 0.3 1 763 139 84 GLU H H 8.840 0.001 1 764 139 84 GLU HA H 3.890 0.003 1 765 139 84 GLU HB2 H 1.982 0.002 2 766 139 84 GLU HB3 H 2.057 0.002 2 767 139 84 GLU HG2 H 2.541 0.003 2 768 139 84 GLU HG3 H 2.265 0.002 2 769 139 84 GLU CA C 61.332 0.3 1 770 139 84 GLU CB C 28.116 0.3 1 771 139 84 GLU CG C 37.301 0.3 1 772 139 84 GLU N N 118.598 0.3 1 773 140 85 ASP H H 8.063 0.03 1 774 140 85 ASP HA H 4.068 0.03 1 775 140 85 ASP HB2 H 1.693 0.001 2 776 140 85 ASP HB3 H 1.693 0.001 2 777 140 85 ASP CA C 57.369 0.3 1 778 140 85 ASP CB C 40.089 0.3 1 779 140 85 ASP N N 121.433 0.3 1 780 141 86 THR H H 8.351 0.002 1 781 141 86 THR HA H 4.128 0.003 1 782 141 86 THR HB H 4.702 0.003 1 783 141 86 THR HG2 H 1.455 0.002 1 784 141 86 THR CA C 67.409 0.3 1 785 141 86 THR CB C 67.762 0.3 1 786 141 86 THR CG2 C 22.585 0.3 1 787 141 86 THR N N 119.792 0.3 1 788 142 87 LEU H H 8.811 0.001 1 789 142 87 LEU HA H 4.146 0.003 1 790 142 87 LEU HB2 H 2.080 0.004 2 791 142 87 LEU HB3 H 1.387 0.004 2 792 142 87 LEU HG H 2.096 0.03 1 793 142 87 LEU HD1 H 1.016 0.003 2 794 142 87 LEU HD2 H 0.925 0.004 2 795 142 87 LEU CA C 57.472 0.3 1 796 142 87 LEU CB C 41.510 0.001 1 797 142 87 LEU CG C 26.313 0.3 1 798 142 87 LEU CD1 C 24.414 0.3 2 799 142 87 LEU CD2 C 22.060 0.3 2 800 142 87 LEU N N 123.497 0.3 1 801 143 88 GLN H H 7.785 0.001 1 802 143 88 GLN HA H 4.011 0.001 1 803 143 88 GLN HB2 H 2.051 0.001 2 804 143 88 GLN HB3 H 2.051 0.001 2 805 143 88 GLN HG2 H 2.364 0.001 2 806 143 88 GLN HG3 H 2.294 0.001 2 807 143 88 GLN CA C 59.459 0.3 1 808 143 88 GLN CB C 27.446 0.3 1 809 143 88 GLN CG C 33.307 0.011 1 810 143 88 GLN N N 118.812 0.3 1 811 144 89 TRP H H 7.465 0.001 1 812 144 89 TRP HA H 4.480 0.001 1 813 144 89 TRP HB2 H 3.095 0.019 2 814 144 89 TRP HB3 H 3.095 0.019 2 815 144 89 TRP HD1 H 7.308 0.03 1 816 144 89 TRP HE1 H 10.180 0.001 1 817 144 89 TRP CA C 61.059 0.3 1 818 144 89 TRP CB C 28.331 0.3 1 819 144 89 TRP N N 121.018 0.3 1 820 144 89 TRP NE1 N 129.580 0.3 1 821 145 90 LEU H H 8.782 0.03 1 822 145 90 LEU HA H 3.203 0.002 1 823 145 90 LEU HB2 H 2.052 0.03 2 824 145 90 LEU HB3 H 1.264 0.007 2 825 145 90 LEU HG H 0.935 0.001 1 826 145 90 LEU HD1 H 0.384 0.003 2 827 145 90 LEU HD2 H -0.119 0.002 2 828 145 90 LEU CA C 57.690 0.3 1 829 145 90 LEU CB C 41.808 0.008 1 830 145 90 LEU CG C 26.135 0.3 1 831 145 90 LEU CD1 C 23.181 0.3 2 832 145 90 LEU CD2 C 24.269 0.3 2 833 145 90 LEU N N 123.425 0.3 1 834 146 91 ILE H H 8.563 0.03 1 835 146 91 ILE HA H 3.142 0.002 1 836 146 91 ILE HB H 1.733 0.03 1 837 146 91 ILE HG12 H 1.681 0.03 1 838 146 91 ILE HG13 H 1.681 0.03 1 839 146 91 ILE HG2 H 0.829 0.03 1 840 146 91 ILE HD1 H 0.811 0.002 1 841 146 91 ILE CA C 66.078 0.3 1 842 146 91 ILE CB C 39.324 0.3 1 843 146 91 ILE CG1 C 29.843 0.3 1 844 146 91 ILE CG2 C 17.177 0.3 1 845 146 91 ILE CD1 C 13.323 0.109 1 846 146 91 ILE N N 117.683 0.3 1 847 147 92 GLU H H 8.695 0.003 1 848 147 92 GLU HA H 4.154 0.001 1 849 147 92 GLU HB2 H 1.984 0.001 2 850 147 92 GLU HB3 H 1.874 0.001 2 851 147 92 GLU HG2 H 2.264 0.001 2 852 147 92 GLU HG3 H 1.964 0.03 2 853 147 92 GLU CA C 58.052 0.3 1 854 147 92 GLU CB C 30.508 0.005 1 855 147 92 GLU CG C 36.254 0.015 1 856 147 92 GLU N N 115.808 0.3 1 857 148 93 PHE H H 7.977 0.001 1 858 148 93 PHE HA H 4.682 0.03 1 859 148 93 PHE HB2 H 3.185 0.005 2 860 148 93 PHE HB3 H 3.185 0.005 2 861 148 93 PHE HD1 H 7.341 0.3 3 862 148 93 PHE HD2 H 7.341 0.3 3 863 148 93 PHE HE1 H 7.341 0.3 3 864 148 93 PHE HE2 H 7.341 0.3 3 865 148 93 PHE HZ H 7.341 0.3 1 866 148 93 PHE CA C 59.555 0.3 1 867 148 93 PHE CB C 39.947 0.3 1 868 148 93 PHE N N 117.573 0.3 1 869 149 94 VAL H H 8.084 0.003 1 870 149 94 VAL HA H 3.168 0.004 1 871 149 94 VAL HB H 2.163 0.005 1 872 149 94 VAL HG1 H 0.658 0.002 2 873 149 94 VAL HG2 H -0.503 0.001 2 874 149 94 VAL CA C 64.197 0.3 1 875 149 94 VAL CB C 29.748 0.3 1 876 149 94 VAL CG1 C 22.333 0.3 2 877 149 94 VAL CG2 C 20.695 0.3 2 878 149 94 VAL N N 119.554 0.3 1 879 150 95 GLU H H 6.588 0.003 1 880 150 95 GLU HA H 3.863 0.002 1 881 150 95 GLU HB2 H 2.141 0.001 2 882 150 95 GLU HB3 H 1.922 0.03 2 883 150 95 GLU CA C 56.095 0.3 1 884 150 95 GLU CB C 26.792 0.025 1 885 150 95 GLU N N 109.831 0.3 1 886 151 96 LEU H H 7.192 0.003 1 887 151 96 LEU HA H 3.838 0.006 1 888 151 96 LEU HB2 H 1.141 0.005 2 889 151 96 LEU HB3 H 1.141 0.005 2 890 151 96 LEU HG H 0.769 0.001 1 891 151 96 LEU HD1 H 0.481 0.002 2 892 151 96 LEU HD2 H 0.339 0.003 2 893 151 96 LEU CA C 56.140 0.3 1 894 151 96 LEU CB C 41.212 0.3 1 895 151 96 LEU CG C 25.555 0.3 1 896 151 96 LEU CD1 C 25.654 0.3 2 897 151 96 LEU CD2 C 23.399 0.3 2 898 151 96 LEU N N 117.050 0.3 1 899 152 97 PRO HA H 3.840 0.002 1 900 152 97 PRO HB2 H 2.029 0.001 2 901 152 97 PRO HB3 H 2.135 0.03 2 902 152 97 PRO HG2 H 1.849 0.03 2 903 152 97 PRO HG3 H 1.963 0.001 2 904 152 97 PRO HD2 H 3.128 0.005 2 905 152 97 PRO HD3 H 3.629 0.003 2 906 152 97 PRO CA C 64.134 0.3 1 907 152 97 PRO CB C 31.845 0.031 1 908 152 97 PRO CG C 26.849 0.006 1 909 152 97 PRO CD C 50.622 0.015 1 910 153 98 GLN H H 9.794 0.001 1 911 153 98 GLN HA H 4.159 0.03 1 912 153 98 GLN N N 120.281 0.3 1 913 154 99 TYR H H 7.117 0.002 1 914 154 99 TYR HA H 5.443 0.004 1 915 154 99 TYR HB2 H 3.396 0.005 2 916 154 99 TYR HB3 H 2.371 0.03 2 917 154 99 TYR HD1 H 7.085 0.03 3 918 154 99 TYR HD2 H 7.085 0.03 3 919 154 99 TYR HE1 H 6.776 0.03 3 920 154 99 TYR HE2 H 6.776 0.03 3 921 154 99 TYR CA C 56.632 0.3 1 922 154 99 TYR CB C 37.104 0.003 1 923 154 99 TYR N N 119.285 0.3 1 924 155 100 GLU H H 7.610 0.002 1 925 155 100 GLU HA H 3.585 0.003 1 926 155 100 GLU HB2 H 1.985 0.001 2 927 155 100 GLU HB3 H 2.058 0.001 2 928 155 100 GLU HG2 H 2.386 0.03 2 929 155 100 GLU HG3 H 2.152 0.03 2 930 155 100 GLU CA C 59.909 0.3 1 931 155 100 GLU CB C 28.507 0.008 1 932 155 100 GLU CG C 35.566 0.3 1 933 155 100 GLU N N 122.722 0.3 1 934 156 101 LYS H H 9.099 0.003 1 935 156 101 LYS HA H 3.941 0.002 1 936 156 101 LYS HB2 H 1.932 0.03 2 937 156 101 LYS HB3 H 1.823 0.002 2 938 156 101 LYS HG2 H 1.441 0.002 2 939 156 101 LYS HG3 H 1.441 0.002 2 940 156 101 LYS HD2 H 1.688 0.03 2 941 156 101 LYS HD3 H 1.688 0.03 2 942 156 101 LYS HE2 H 3.044 0.001 2 943 156 101 LYS HE3 H 3.044 0.001 2 944 156 101 LYS CA C 59.829 0.3 1 945 156 101 LYS CB C 32.149 0.3 1 946 156 101 LYS CG C 24.899 0.3 1 947 156 101 LYS CD C 29.279 0.3 1 948 156 101 LYS CE C 41.979 0.3 1 949 156 101 LYS N N 119.593 0.3 1 950 157 102 ASN H H 8.626 0.001 1 951 157 102 ASN HA H 4.607 0.010 1 952 157 102 ASN HB2 H 3.083 0.03 2 953 157 102 ASN HB3 H 3.033 0.03 2 954 157 102 ASN HD21 H 8.339 0.001 2 955 157 102 ASN HD22 H 7.462 0.003 2 956 157 102 ASN CA C 56.344 0.3 1 957 157 102 ASN CB C 30.568 0.003 1 958 157 102 ASN N N 114.108 0.3 1 959 157 102 ASN ND2 N 114.918 0.150 1 960 158 103 PHE H H 8.649 0.03 1 961 158 103 PHE HA H 4.222 0.004 1 962 158 103 PHE HB2 H 3.151 0.002 2 963 158 103 PHE HB3 H 3.151 0.002 2 964 158 103 PHE HD1 H 7.373 0.3 3 965 158 103 PHE HD2 H 7.373 0.3 3 966 158 103 PHE HE1 H 7.373 0.3 3 967 158 103 PHE HE2 H 7.373 0.3 3 968 158 103 PHE HZ H 7.373 0.3 1 969 158 103 PHE CA C 60.444 0.3 1 970 158 103 PHE CB C 38.250 0.3 1 971 158 103 PHE N N 120.800 0.3 1 972 159 104 ARG H H 8.937 0.001 1 973 159 104 ARG HA H 4.196 0.001 1 974 159 104 ARG HB2 H 1.974 0.001 2 975 159 104 ARG HB3 H 1.974 0.001 2 976 159 104 ARG HG2 H 1.722 0.002 2 977 159 104 ARG HG3 H 1.722 0.002 2 978 159 104 ARG HD2 H 3.288 0.002 2 979 159 104 ARG HD3 H 3.288 0.002 2 980 159 104 ARG CA C 60.787 0.3 1 981 159 104 ARG CB C 29.958 0.3 1 982 159 104 ARG CG C 26.891 0.158 1 983 159 104 ARG CD C 42.714 0.036 1 984 159 104 ARG N N 120.314 0.3 1 985 160 105 ASP H H 9.472 0.03 1 986 160 105 ASP HA H 4.368 0.03 1 987 160 105 ASP HB2 H 2.719 0.001 2 988 160 105 ASP HB3 H 2.618 0.001 2 989 160 105 ASP CA C 56.685 0.3 1 990 160 105 ASP CB C 40.091 0.001 1 991 160 105 ASP N N 119.664 0.3 1 992 161 106 ASN H H 6.993 0.004 1 993 161 106 ASN HA H 4.792 0.003 1 994 161 106 ASN HB2 H 2.649 0.005 2 995 161 106 ASN HB3 H 2.298 0.004 2 996 161 106 ASN HD21 H 8.209 0.03 2 997 161 106 ASN HD22 H 6.832 0.004 2 998 161 106 ASN CA C 53.405 0.3 1 999 161 106 ASN CB C 40.817 0.004 1 1000 161 106 ASN N N 113.581 0.3 1 1001 161 106 ASN ND2 N 116.625 0.010 1 1002 162 107 ASN H H 8.000 0.002 1 1003 162 107 ASN HA H 4.263 0.006 1 1004 162 107 ASN HB2 H 3.100 0.007 2 1005 162 107 ASN HB3 H 2.544 0.008 2 1006 162 107 ASN HD21 H 6.770 0.004 2 1007 162 107 ASN HD22 H 7.570 0.001 2 1008 162 107 ASN CA C 54.020 0.3 1 1009 162 107 ASN CB C 37.497 0.042 1 1010 162 107 ASN N N 119.089 0.3 1 1011 162 107 ASN ND2 N 111.365 0.3 1 1012 163 108 VAL H H 7.855 0.002 1 1013 163 108 VAL HA H 3.624 0.001 1 1014 163 108 VAL HB H 1.600 0.03 1 1015 163 108 VAL HG1 H 0.671 0.002 2 1016 163 108 VAL HG2 H 0.418 0.002 2 1017 163 108 VAL CA C 64.261 0.3 1 1018 163 108 VAL CB C 30.500 0.3 1 1019 163 108 VAL CG1 C 23.618 0.3 2 1020 163 108 VAL CG2 C 21.459 0.3 2 1021 163 108 VAL N N 118.297 0.3 1 1022 164 109 LYS H H 8.079 0.001 1 1023 164 109 LYS HA H 4.967 0.004 1 1024 164 109 LYS HB2 H 1.969 0.001 2 1025 164 109 LYS HB3 H 1.713 0.001 2 1026 164 109 LYS HG2 H 1.570 0.03 2 1027 164 109 LYS HG3 H 1.448 0.001 2 1028 164 109 LYS HD2 H 1.732 0.001 2 1029 164 109 LYS HD3 H 1.732 0.001 2 1030 164 109 LYS HE2 H 3.102 0.006 2 1031 164 109 LYS HE3 H 3.038 0.03 2 1032 164 109 LYS CA C 54.089 0.3 1 1033 164 109 LYS CB C 33.926 0.004 1 1034 164 109 LYS CG C 23.074 0.001 1 1035 164 109 LYS CD C 29.832 0.3 1 1036 164 109 LYS CE C 41.889 0.3 1 1037 164 109 LYS N N 122.488 0.3 1 1038 165 110 GLY H H 8.129 0.03 1 1039 165 110 GLY HA2 H 3.585 0.03 2 1040 165 110 GLY HA3 H 4.310 0.03 2 1041 165 110 GLY CA C 48.939 0.027 1 1042 165 110 GLY N N 108.155 0.3 1 1043 166 111 THR H H 7.419 0.03 1 1044 166 111 THR HA H 3.878 0.03 1 1045 166 111 THR HB H 4.069 0.03 1 1046 166 111 THR HG2 H 1.332 0.002 1 1047 166 111 THR CA C 63.177 0.3 1 1048 166 111 THR CB C 68.642 0.3 1 1049 166 111 THR CG2 C 25.026 0.3 1 1050 166 111 THR N N 105.553 0.3 1 1051 167 112 THR H H 8.038 0.03 1 1052 167 112 THR HA H 4.012 0.007 1 1053 167 112 THR HB H 4.108 0.03 1 1054 167 112 THR HG2 H 1.267 0.03 1 1055 167 112 THR CA C 63.246 0.3 1 1056 167 112 THR CB C 68.783 0.3 1 1057 167 112 THR CG2 C 21.557 0.3 1 1058 167 112 THR N N 116.739 0.3 1 1059 168 113 LEU H H 7.603 0.001 1 1060 168 113 LEU HA H 4.549 0.003 1 1061 168 113 LEU HB2 H 2.209 0.03 2 1062 168 113 LEU HB3 H 2.209 0.03 2 1063 168 113 LEU HD1 H 1.043 0.001 2 1064 168 113 LEU HD2 H 0.899 0.001 2 1065 168 113 LEU CA C 58.623 0.3 1 1066 168 113 LEU CB C 35.702 0.3 1 1067 168 113 LEU CD1 C 22.402 0.3 2 1068 168 113 LEU CD2 C 18.684 0.3 2 1069 168 113 LEU N N 118.535 0.3 1 1070 169 114 PRO HA H 3.644 0.001 1 1071 169 114 PRO HB2 H 1.464 0.018 2 1072 169 114 PRO HB3 H 1.464 0.018 2 1073 169 114 PRO CA C 66.740 0.3 1 1074 169 114 PRO CB C 31.780 0.3 1 1075 170 115 ARG H H 7.409 0.03 1 1076 170 115 ARG N N 109.686 0.3 1 1077 171 116 ILE HA H 4.051 0.03 1 1078 171 116 ILE HB H 1.466 0.003 1 1079 171 116 ILE HG12 H 1.137 0.004 1 1080 171 116 ILE HG13 H 0.481 0.003 1 1081 171 116 ILE HG2 H 0.506 0.001 1 1082 171 116 ILE HD1 H 0.213 0.002 1 1083 171 116 ILE CA C 60.175 0.3 1 1084 171 116 ILE CB C 36.016 0.3 1 1085 171 116 ILE CG1 C 26.174 0.007 1 1086 171 116 ILE CG2 C 16.979 0.3 1 1087 171 116 ILE CD1 C 12.298 0.3 1 1088 172 117 ALA H H 8.305 0.03 1 1089 172 117 ALA HA H 4.471 0.001 1 1090 172 117 ALA HB H 1.286 0.003 1 1091 172 117 ALA CA C 52.039 0.3 1 1092 172 117 ALA CB C 19.485 0.3 1 1093 172 117 ALA N N 124.480 0.3 1 1094 173 118 VAL H H 6.909 0.003 1 1095 173 118 VAL HA H 4.196 0.004 1 1096 173 118 VAL HB H 2.060 0.003 1 1097 173 118 VAL HG1 H 0.935 0.002 2 1098 173 118 VAL HG2 H 0.776 0.03 2 1099 173 118 VAL CA C 64.405 0.3 1 1100 173 118 VAL CB C 31.184 0.3 1 1101 173 118 VAL CG1 C 22.429 0.3 2 1102 173 118 VAL CG2 C 21.295 0.3 2 1103 173 118 VAL N N 109.011 0.3 1 1104 174 119 HIS H H 8.320 0.004 1 1105 174 119 HIS HA H 4.358 0.03 1 1106 174 119 HIS HB2 H 1.805 0.03 2 1107 174 119 HIS HB3 H 1.805 0.03 2 1108 174 119 HIS CA C 55.797 0.3 1 1109 174 119 HIS CB C 33.087 0.3 1 1110 174 119 HIS N N 115.531 0.3 1 1111 175 120 GLU H H 8.211 0.001 1 1112 175 120 GLU N N 121.784 0.3 1 1113 177 122 SER H H 8.134 0.03 1 1114 177 122 SER HA H 4.421 0.002 1 1115 177 122 SER HB2 H 4.011 0.002 2 1116 177 122 SER HB3 H 3.933 0.002 2 1117 177 122 SER CA C 61.537 0.3 1 1118 177 122 SER CB C 63.719 0.002 1 1119 177 122 SER N N 113.306 0.3 1 1120 178 123 PHE H H 7.380 0.002 1 1121 178 123 PHE HA H 4.058 0.03 1 1122 178 123 PHE HB2 H 3.728 0.03 2 1123 178 123 PHE HB3 H 3.728 0.03 2 1124 178 123 PHE CB C 42.223 0.3 1 1125 178 123 PHE N N 119.048 0.3 1 1126 179 124 MET H H 8.892 0.001 1 1127 179 124 MET HA H 3.815 0.001 1 1128 179 124 MET HE H 2.330 0.001 1 1129 179 124 MET CA C 58.940 0.3 1 1130 179 124 MET CE C 17.568 0.3 1 1131 179 124 MET N N 120.144 0.3 1 1132 180 125 ILE H H 7.122 0.001 1 1133 180 125 ILE HA H 3.607 0.03 1 1134 180 125 ILE HB H 1.735 0.03 1 1135 180 125 ILE HG12 H 1.611 0.002 1 1136 180 125 ILE HG13 H 1.611 0.002 1 1137 180 125 ILE HG2 H 0.833 0.03 1 1138 180 125 ILE HD1 H 0.763 0.03 1 1139 180 125 ILE CA C 64.366 0.3 1 1140 180 125 ILE CB C 37.934 0.3 1 1141 180 125 ILE CG1 C 29.415 0.3 1 1142 180 125 ILE CG2 C 13.292 0.3 1 1143 180 125 ILE CD1 C 16.976 0.3 1 1144 180 125 ILE N N 116.434 0.3 1 1145 181 126 SER HA H 3.938 0.03 1 1146 181 126 SER HB2 H 3.931 0.03 2 1147 181 126 SER HB3 H 3.931 0.03 2 1148 181 126 SER CA C 63.177 0.3 1 1149 181 126 SER CB C 63.519 0.3 1 1150 182 127 GLN H H 8.185 0.003 1 1151 182 127 GLN N N 122.722 0.3 1 1152 183 128 LEU HA H 4.900 0.005 1 1153 183 128 LEU HB2 H 1.288 0.001 2 1154 183 128 LEU HB3 H 1.288 0.001 2 1155 183 128 LEU HG H 1.270 0.03 1 1156 183 128 LEU HD1 H 0.681 0.003 2 1157 183 128 LEU HD2 H 0.318 0.002 2 1158 183 128 LEU CA C 51.444 0.3 1 1159 183 128 LEU CB C 43.084 0.3 1 1160 183 128 LEU CG C 24.994 0.3 1 1161 183 128 LEU CD1 C 26.379 0.3 2 1162 183 128 LEU CD2 C 22.198 0.3 2 1163 184 129 LYS HA H 4.224 0.002 1 1164 184 129 LYS HB2 H 1.842 0.002 2 1165 184 129 LYS HB3 H 1.795 0.03 2 1166 184 129 LYS HG2 H 1.505 0.03 2 1167 184 129 LYS HG3 H 1.446 0.002 2 1168 184 129 LYS HD2 H 1.690 0.001 2 1169 184 129 LYS HD3 H 1.690 0.001 2 1170 184 129 LYS HE2 H 3.001 0.003 2 1171 184 129 LYS HE3 H 3.001 0.003 2 1172 184 129 LYS CA C 56.890 0.3 1 1173 184 129 LYS CB C 32.740 0.002 1 1174 184 129 LYS CG C 24.757 0.004 1 1175 184 129 LYS CD C 28.770 0.3 1 1176 184 129 LYS CE C 41.778 0.013 1 1177 185 130 ILE HA H 3.896 0.001 1 1178 185 130 ILE HB H 1.388 0.03 1 1179 185 130 ILE HG12 H 1.204 0.001 1 1180 185 130 ILE HG13 H 1.204 0.001 1 1181 185 130 ILE HG2 H 0.584 0.002 1 1182 185 130 ILE HD1 H 0.272 0.003 1 1183 185 130 ILE CA C 60.980 0.3 1 1184 185 130 ILE CB C 36.630 0.3 1 1185 185 130 ILE CG1 C 25.858 0.3 1 1186 185 130 ILE CG2 C 16.867 0.3 1 1187 185 130 ILE CD1 C 13.217 0.3 1 1188 186 131 SER HA H 4.081 0.004 1 1189 186 131 SER HB2 H 3.925 0.001 2 1190 186 131 SER HB3 H 3.799 0.004 2 1191 186 131 SER CA C 59.624 0.3 1 1192 186 131 SER CB C 63.377 0.002 1 1193 187 132 ASP H H 8.015 0.002 1 1194 187 132 ASP N N 124.011 0.3 1 1195 188 133 ARG HA H 3.718 0.003 1 1196 188 133 ARG HB2 H 1.934 0.002 2 1197 188 133 ARG HB3 H 1.858 0.003 2 1198 188 133 ARG HG2 H 1.685 0.005 2 1199 188 133 ARG HG3 H 1.685 0.005 2 1200 188 133 ARG HD2 H 3.200 0.003 2 1201 188 133 ARG HD3 H 3.200 0.003 2 1202 188 133 ARG CA C 60.012 0.3 1 1203 188 133 ARG CB C 30.359 0.019 1 1204 188 133 ARG CG C 26.791 0.3 1 1205 188 133 ARG CD C 43.211 0.3 1 1206 189 134 SER H H 8.372 0.001 1 1207 189 134 SER HA H 3.981 0.002 1 1208 189 134 SER HB2 H 4.163 0.001 2 1209 189 134 SER HB3 H 4.163 0.001 2 1210 189 134 SER CA C 62.079 0.3 1 1211 189 134 SER CB C 62.530 0.004 1 1212 189 134 SER N N 117.320 0.3 1 1213 190 135 HIS H H 8.452 0.001 1 1214 190 135 HIS HA H 4.508 0.001 1 1215 190 135 HIS HB2 H 3.003 0.006 2 1216 190 135 HIS HB3 H 3.003 0.006 2 1217 190 135 HIS HD2 H 6.846 0.03 1 1218 190 135 HIS CA C 57.088 0.3 1 1219 190 135 HIS CB C 30.919 0.3 1 1220 190 135 HIS N N 125.114 0.3 1 1221 191 136 ARG H H 8.290 0.03 1 1222 191 136 ARG HA H 3.871 0.03 1 1223 191 136 ARG CA C 61.427 0.3 1 1224 191 136 ARG N N 118.034 0.3 1 1225 192 137 GLN H H 8.282 0.03 1 1226 192 137 GLN HA H 4.218 0.002 1 1227 192 137 GLN HB2 H 2.234 0.004 2 1228 192 137 GLN HB3 H 2.242 0.002 2 1229 192 137 GLN HG2 H 2.633 0.004 2 1230 192 137 GLN HG3 H 2.451 0.006 2 1231 192 137 GLN HE21 H 7.554 0.002 2 1232 192 137 GLN HE22 H 6.869 0.03 2 1233 192 137 GLN CA C 59.009 0.3 1 1234 192 137 GLN CB C 28.463 0.011 1 1235 192 137 GLN CG C 34.463 0.002 1 1236 192 137 GLN N N 117.566 0.3 1 1237 192 137 GLN NE2 N 111.664 0.008 1 1238 193 138 LYS H H 7.892 0.001 1 1239 193 138 LYS HA H 4.163 0.003 1 1240 193 138 LYS HB2 H 1.950 0.001 2 1241 193 138 LYS HB3 H 2.046 0.001 2 1242 193 138 LYS HG2 H 1.600 0.03 2 1243 193 138 LYS HG3 H 1.520 0.001 2 1244 193 138 LYS HD2 H 1.719 0.03 2 1245 193 138 LYS HD3 H 1.719 0.03 2 1246 193 138 LYS HE2 H 2.996 0.002 2 1247 193 138 LYS HE3 H 2.996 0.002 2 1248 193 138 LYS CA C 59.912 0.3 1 1249 193 138 LYS CB C 32.730 0.3 1 1250 193 138 LYS CG C 25.555 0.3 1 1251 193 138 LYS CD C 29.460 0.3 1 1252 193 138 LYS CE C 41.818 0.3 1 1253 193 138 LYS N N 120.800 0.3 1 1254 194 139 LEU H H 8.332 0.002 1 1255 194 139 LEU HA H 3.788 0.002 1 1256 194 139 LEU HB2 H 1.811 0.003 2 1257 194 139 LEU HB3 H 1.811 0.003 2 1258 194 139 LEU HG H 1.782 0.003 1 1259 194 139 LEU HD1 H 0.366 0.002 2 1260 194 139 LEU HD2 H 0.349 0.004 2 1261 194 139 LEU CA C 59.676 0.3 1 1262 194 139 LEU CB C 39.763 0.3 1 1263 194 139 LEU CG C 26.652 0.3 1 1264 194 139 LEU CD1 C 25.982 0.3 2 1265 194 139 LEU CD2 C 22.452 0.3 2 1266 194 139 LEU N N 118.800 0.3 1 1267 195 140 GLN HA H 4.258 0.03 1 1268 195 140 GLN HB2 H 2.084 0.006 2 1269 195 140 GLN HB3 H 2.084 0.006 2 1270 195 140 GLN HG2 H 2.373 0.03 2 1271 195 140 GLN HG3 H 2.373 0.03 2 1272 195 140 GLN CA C 59.350 0.3 1 1273 195 140 GLN CB C 27.449 0.3 1 1274 195 140 GLN CG C 32.666 0.3 1 1275 196 141 LEU H H 8.000 0.03 1 1276 196 141 LEU HA H 4.148 0.002 1 1277 196 141 LEU HB2 H 1.964 0.03 2 1278 196 141 LEU HB3 H 1.869 0.004 2 1279 196 141 LEU HG H 1.898 0.03 1 1280 196 141 LEU HD1 H 0.991 0.001 2 1281 196 141 LEU CA C 58.053 0.3 1 1282 196 141 LEU CB C 42.168 0.001 1 1283 196 141 LEU CG C 27.221 0.3 1 1284 196 141 LEU CD1 C 24.526 0.3 2 1285 196 141 LEU N N 119.500 0.3 1 1286 197 142 LYS H H 8.563 0.03 1 1287 197 142 LYS HA H 4.540 0.003 1 1288 197 142 LYS HB2 H 2.203 0.007 2 1289 197 142 LYS HB3 H 2.203 0.007 2 1290 197 142 LYS HG2 H 1.897 0.003 2 1291 197 142 LYS HG3 H 1.897 0.003 2 1292 197 142 LYS HD2 H 1.580 0.003 2 1293 197 142 LYS HD3 H 1.580 0.003 2 1294 197 142 LYS HE2 H 2.888 0.001 2 1295 197 142 LYS HE3 H 2.888 0.001 2 1296 197 142 LYS CA C 57.674 0.3 1 1297 197 142 LYS CB C 31.746 0.3 1 1298 197 142 LYS CG C 25.448 0.3 1 1299 197 142 LYS CD C 27.876 0.3 1 1300 197 142 LYS CE C 42.112 0.3 1 1301 197 142 LYS N N 117.283 0.3 1 1302 198 143 ALA H H 9.400 0.03 1 1303 198 143 ALA HA H 4.387 0.002 1 1304 198 143 ALA HB H 1.522 0.001 1 1305 198 143 ALA CA C 54.977 0.3 1 1306 198 143 ALA CB C 18.452 0.3 1 1307 198 143 ALA N N 124.831 0.3 1 1308 199 144 LEU H H 8.793 0.004 1 1309 199 144 LEU HA H 3.776 0.002 1 1310 199 144 LEU HB2 H 2.077 0.001 2 1311 199 144 LEU HB3 H 2.077 0.001 2 1312 199 144 LEU HG H 1.889 0.003 1 1313 199 144 LEU HD1 H 1.147 0.002 2 1314 199 144 LEU HD2 H 1.001 0.03 2 1315 199 144 LEU CA C 58.715 0.3 1 1316 199 144 LEU CB C 41.742 0.3 1 1317 199 144 LEU CG C 27.363 0.3 1 1318 199 144 LEU CD1 C 25.724 0.3 2 1319 199 144 LEU CD2 C 24.643 0.3 2 1320 199 144 LEU N N 120.047 0.3 1 1321 200 145 ASP H H 7.766 0.002 1 1322 200 145 ASP HA H 4.554 0.002 1 1323 200 145 ASP HB2 H 3.281 0.001 2 1324 200 145 ASP HB3 H 3.068 0.03 2 1325 200 145 ASP CA C 57.351 0.3 1 1326 200 145 ASP CB C 42.606 0.002 1 1327 200 145 ASP N N 115.808 0.3 1 1328 201 146 VAL H H 7.472 0.002 1 1329 201 146 VAL HA H 4.203 0.004 1 1330 201 146 VAL HB H 2.053 0.002 1 1331 201 146 VAL HG1 H 1.034 0.001 2 1332 201 146 VAL HG2 H 0.769 0.002 2 1333 201 146 VAL CA C 64.339 0.3 1 1334 201 146 VAL CB C 31.194 0.3 1 1335 201 146 VAL CG1 C 22.634 0.3 2 1336 201 146 VAL CG2 C 20.598 0.3 2 1337 201 146 VAL N N 110.785 0.3 1 1338 202 147 VAL H H 8.323 0.003 1 1339 202 147 VAL HA H 3.627 0.002 1 1340 202 147 VAL HB H 1.762 0.001 1 1341 202 147 VAL HG1 H 0.316 0.002 2 1342 202 147 VAL HG2 H 0.175 0.005 2 1343 202 147 VAL CA C 65.843 0.3 1 1344 202 147 VAL CB C 31.503 0.3 1 1345 202 147 VAL CG1 C 23.768 0.3 2 1346 202 147 VAL CG2 C 20.336 0.3 2 1347 202 147 VAL N N 121.598 0.3 1 1348 203 148 LEU H H 7.851 0.03 1 1349 203 148 LEU HA H 3.920 0.004 1 1350 203 148 LEU HB2 H 1.000 0.002 2 1351 203 148 LEU HB3 H 0.075 0.001 2 1352 203 148 LEU HG H 1.406 0.004 1 1353 203 148 LEU HD1 H 0.614 0.001 2 1354 203 148 LEU HD2 H 0.419 0.003 2 1355 203 148 LEU CA C 56.480 0.3 1 1356 203 148 LEU CB C 41.857 0.3 1 1357 203 148 LEU CG C 26.748 0.3 1 1358 203 148 LEU CD1 C 26.010 0.3 2 1359 203 148 LEU CD2 C 21.827 0.3 2 1360 203 148 LEU N N 114.402 0.3 1 1361 204 149 PHE H H 7.973 0.004 1 1362 204 149 PHE HA H 4.888 0.006 1 1363 204 149 PHE HB2 H 3.388 0.001 2 1364 204 149 PHE HB3 H 3.189 0.002 2 1365 204 149 PHE HD1 H 7.275 0.3 3 1366 204 149 PHE HD2 H 7.275 0.3 3 1367 204 149 PHE HE1 H 7.275 0.3 3 1368 204 149 PHE HE2 H 7.275 0.3 3 1369 204 149 PHE HZ H 7.275 0.3 1 1370 204 149 PHE CA C 56.750 0.3 1 1371 204 149 PHE CB C 39.198 0.006 1 1372 204 149 PHE N N 113.425 0.3 1 1373 205 150 GLY H H 7.578 0.03 1 1374 205 150 GLY HA2 H 3.779 0.001 2 1375 205 150 GLY HA3 H 3.779 0.001 2 1376 205 150 GLY CA C 46.413 0.3 1 1377 205 150 GLY N N 114.753 0.3 1 stop_ save_