data_15540 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C Assignments of the C-terminal chromatin binding domain of the 43kDa subunit of chloroplast signal recognition particle ; _BMRB_accession_number 15540 _BMRB_flat_file_name bmr15540.str _Entry_type original _Submission_date 2007-10-30 _Accession_date 2007-10-30 _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 Ananthamurthy Koteshwara . . 2 Kathir Karuppanan M. . 3 Kight Alicia . . 4 Goforth Robyn . . 5 Henry Ralph . . 6 'Suresh Kumar' Thallapuranam K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 600 "13C chemical shifts" 428 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-13 update BMRB 'added PubMed ID' 2008-06-05 update BMRB 'complete entry citation' 2008-01-17 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignments of the C-terminal domain of the 43 kDa subunit of the chloroplast signal recognition particle' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636919 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ananthamurthy Koteshwara . . 2 Kathir 'Karuppanan Muthusamy' . . 3 Kight Alicia . . 4 Goforth Robyn L. . 5 Henry Ralph . . 6 'Suresh Kumar' 'Thallapuranam Krishnaswamy' . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 2 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 37 _Page_last 39 _Year 2008 _Details 'Two PubMed ID's found for this citation: 19112521 and 19636919.' save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'C-terminal chromo domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'C-terminal chromo domain' $C-Terminal_chromo_domain 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_C-Terminal_chromo_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common C-Terminal_chromo_domain _Molecular_mass . _Mol_thiol_state 'not available' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; GSQVFEYAEVDEIVEKRGKG KDVEYLVRWKDGGDCEWVKG VHVAEDVAKDYEDGLEYAVA ESVIGKRVGDDGKTIEYLVK WTDMSDATWEPQDNVDSTLV LLYQQQQPMNE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 SER 3 1 GLN 4 2 VAL 5 3 PHE 6 4 GLU 7 5 TYR 8 6 ALA 9 7 GLU 10 8 VAL 11 9 ASP 12 10 GLU 13 11 ILE 14 12 VAL 15 13 GLU 16 14 LYS 17 15 ARG 18 16 GLY 19 17 LYS 20 18 GLY 21 19 LYS 22 20 ASP 23 21 VAL 24 22 GLU 25 23 TYR 26 24 LEU 27 25 VAL 28 26 ARG 29 27 TRP 30 28 LYS 31 29 ASP 32 30 GLY 33 31 GLY 34 32 ASP 35 33 CYS 36 34 GLU 37 35 TRP 38 36 VAL 39 37 LYS 40 38 GLY 41 39 VAL 42 40 HIS 43 41 VAL 44 42 ALA 45 43 GLU 46 44 ASP 47 45 VAL 48 46 ALA 49 47 LYS 50 48 ASP 51 49 TYR 52 50 GLU 53 51 ASP 54 52 GLY 55 53 LEU 56 54 GLU 57 55 TYR 58 56 ALA 59 57 VAL 60 58 ALA 61 59 GLU 62 60 SER 63 61 VAL 64 62 ILE 65 63 GLY 66 64 LYS 67 65 ARG 68 66 VAL 69 67 GLY 70 68 ASP 71 69 ASP 72 70 GLY 73 71 LYS 74 72 THR 75 73 ILE 76 74 GLU 77 75 TYR 78 76 LEU 79 77 VAL 80 78 LYS 81 79 TRP 82 80 THR 83 81 ASP 84 82 MET 85 83 SER 86 84 ASP 87 85 ALA 88 86 THR 89 87 TRP 90 88 GLU 91 89 PRO 92 90 GLN 93 91 ASP 94 92 ASN 95 93 VAL 96 94 ASP 97 95 SER 98 96 THR 99 97 LEU 100 98 VAL 101 99 LEU 102 100 LEU 103 101 TYR 104 102 GLN 105 103 GLN 106 104 GLN 107 105 GLN 108 106 PRO 109 107 MET 110 108 ASN 111 109 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-06 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 1X3Q "3d Solution Structure Of The Chromo-2 Domain Of Cpsrp43" 50.45 57 100.00 100.00 5.15e-29 PDB 2HUG "3d Solution Structure Of The Chromo-2 Domain Of Cpsrp43 Complexed With Cpsrp54 Peptide" 50.45 57 100.00 100.00 5.15e-29 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $C-Terminal_chromo_domain 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $C-Terminal_chromo_domain 'recombinant technology' . Escherichia coli . pGEX-4T 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 $C-Terminal_chromo_domain 0.7 mM '[U-98% 13C; U-98% 15N]' 'sodium chloride' 150 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $C-Terminal_chromo_domain 0.7 mM '[U-99% 15N]' 'sodium chloride' 150 mM . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $C-Terminal_chromo_domain 0.7 mM [U-13C] 'sodium chloride' 150 mM . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $C-Terminal_chromo_domain 1 mM 'natural abundance' 'sodium chloride' 150 mM . stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . Goddard . . stop_ loop_ _Task collection 'data analysis' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 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' 150 1 mM pH 7.5 0.1 pH pressure 1 . atm temperature 298 0.1 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 DSS C 13 'methyl protons' ppm 0.0 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.00 DSS N 15 'methyl protons' ppm 0.0 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HBHA(CO)NH' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY' '3D HCCH-TOCSY' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'C-terminal chromo domain' _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 3 GLN H H 7.888 0.01 1 2 1 3 GLN HA H 3.824 0.01 1 3 1 3 GLN HB2 H 1.789 0.01 2 4 1 3 GLN HB3 H 1.789 0.01 2 5 1 3 GLN HG2 H 2.079 0.01 2 6 1 3 GLN HG3 H 2.079 0.01 2 7 1 3 GLN C C 172.6 0.05 1 8 1 3 GLN CA C 53.31 0.05 1 9 1 3 GLN CB C 26.89 0.05 1 10 1 3 GLN CG C 31.04 0.05 1 11 1 3 GLN N N 129 0.1 1 12 2 4 VAL H H 7.948 0.01 1 13 2 4 VAL HA H 4.005 0.01 1 14 2 4 VAL HB H 1.787 0.01 1 15 2 4 VAL HG1 H 0.712 0.01 2 16 2 4 VAL HG2 H 0.708 0.01 2 17 2 4 VAL C C 172.9 0.05 1 18 2 4 VAL CA C 58.94 0.05 1 19 2 4 VAL CB C 30.49 0.05 1 20 2 4 VAL CG1 C 17.97 0.05 2 21 2 4 VAL CG2 C 17.97 0.05 2 22 2 4 VAL N N 120.6 0.1 1 23 3 5 PHE H H 8.383 0.01 1 24 3 5 PHE HA H 4.404 0.01 1 25 3 5 PHE HB2 H 2.873 0.01 2 26 3 5 PHE HB3 H 2.873 0.01 2 27 3 5 PHE C C 172.1 0.05 1 28 3 5 PHE CA C 55.2 0.05 1 29 3 5 PHE CB C 37.21 0.05 1 30 3 5 PHE N N 123.9 0.1 1 31 4 6 GLU H H 8.168 0.01 1 32 4 6 GLU HA H 4.143 0.01 1 33 4 6 GLU HB2 H 1.857 0.01 2 34 4 6 GLU HB3 H 1.857 0.01 2 35 4 6 GLU HG2 H 2.091 0.01 2 36 4 6 GLU HG3 H 2.091 0.01 2 37 4 6 GLU C C 173.2 0.05 1 38 4 6 GLU CA C 53.68 0.05 1 39 4 6 GLU CB C 27.73 0.05 1 40 4 6 GLU CG C 33.61 0.05 1 41 4 6 GLU N N 122.5 0.1 1 42 5 7 TYR H H 8.185 0.01 1 43 5 7 TYR HA H 4.43 0.01 1 44 5 7 TYR HB2 H 2.563 0.01 2 45 5 7 TYR HB3 H 2.445 0.01 2 46 5 7 TYR HD1 H 7.102 0.01 1 47 5 7 TYR HD2 H 7.102 0.01 1 48 5 7 TYR HE1 H 6.861 0.01 1 49 5 7 TYR HE2 H 6.861 0.01 1 50 5 7 TYR C C 173 0.05 1 51 5 7 TYR CA C 59.31 0.05 1 52 5 7 TYR CB C 38.57 0.05 1 53 5 7 TYR N N 120.9 0.1 1 54 6 8 ALA H H 7.904 0.01 1 55 6 8 ALA HA H 4.178 0.01 1 56 6 8 ALA HB H 1.197 0.01 1 57 6 8 ALA C C 174.7 0.05 1 58 6 8 ALA CA C 50.51 0.05 1 59 6 8 ALA CB C 16.5 0.05 1 60 6 8 ALA N N 122 0.1 1 61 7 9 GLU H H 8.083 0.01 1 62 7 9 GLU HA H 4.476 0.01 1 63 7 9 GLU HB2 H 2.165 0.01 2 64 7 9 GLU HB3 H 2.165 0.01 2 65 7 9 GLU HG2 H 2.259 0.01 2 66 7 9 GLU HG3 H 2.259 0.01 2 67 7 9 GLU C C 174.2 0.05 1 68 7 9 GLU CA C 54.37 0.05 1 69 7 9 GLU CB C 28.64 0.05 1 70 7 9 GLU CG C 34.13 0.05 1 71 7 9 GLU N N 116 0.1 1 72 8 10 VAL H H 8.526 0.01 1 73 8 10 VAL HA H 3.751 0.01 1 74 8 10 VAL HB H 1.849 0.01 1 75 8 10 VAL HG1 H 0.776 0.01 2 76 8 10 VAL HG2 H 0.776 0.01 2 77 8 10 VAL C C 171.9 0.05 1 78 8 10 VAL CA C 60.48 0.05 1 79 8 10 VAL CB C 30.94 0.05 1 80 8 10 VAL CG1 C 19.6 0.05 2 81 8 10 VAL CG2 C 19.6 0.05 2 82 8 10 VAL N N 124.3 0.1 1 83 9 11 ASP H H 8.987 0.01 1 84 9 11 ASP HA H 4.575 0.01 1 85 9 11 ASP HB2 H 2.337 0.01 2 86 9 11 ASP HB3 H 2.084 0.01 2 87 9 11 ASP C C 172.7 0.05 1 88 9 11 ASP CA C 52.89 0.05 1 89 9 11 ASP CB C 40.03 0.05 1 90 9 11 ASP N N 126.1 0.1 1 91 10 12 GLU H H 7.157 0.01 1 92 10 12 GLU HA H 4.372 0.01 1 93 10 12 GLU HB2 H 1.748 0.01 2 94 10 12 GLU HB3 H 1.748 0.01 2 95 10 12 GLU HG2 H 1.855 0.01 2 96 10 12 GLU HG3 H 1.855 0.01 2 97 10 12 GLU C C 170.9 0.05 1 98 10 12 GLU CA C 51.91 0.05 1 99 10 12 GLU CB C 29.91 0.05 1 100 10 12 GLU CG C 32.84 0.05 1 101 10 12 GLU N N 112.4 0.1 1 102 11 13 ILE H H 8.42 0.01 1 103 11 13 ILE HA H 3.888 0.01 1 104 11 13 ILE HB H 1.816 0.01 1 105 11 13 ILE HD1 H 0.107 0.01 1 106 11 13 ILE HG12 H 1.048 0.01 2 107 11 13 ILE HG13 H 1.048 0.01 2 108 11 13 ILE HG2 H 0.328 0.01 1 109 11 13 ILE C C 172.3 0.05 1 110 11 13 ILE CA C 58.29 0.05 1 111 11 13 ILE CB C 35.37 0.05 1 112 11 13 ILE N N 122.6 0.1 1 113 12 14 VAL H H 8.845 0.01 1 114 12 14 VAL HA H 3.816 0.01 1 115 12 14 VAL HB H 1.576 0.01 1 116 12 14 VAL HG1 H 0.685 0.01 2 117 12 14 VAL HG2 H 0.525 0.01 2 118 12 14 VAL C C 173.2 0.05 1 119 12 14 VAL CA C 60.57 0.05 1 120 12 14 VAL CB C 30.72 0.05 1 121 12 14 VAL CG1 C 18.82 0.05 2 122 12 14 VAL CG2 C 18.82 0.05 2 123 12 14 VAL N N 124.3 0.1 1 124 13 15 GLU H H 7.162 0.01 1 125 13 15 GLU HA H 4.498 0.01 1 126 13 15 GLU HB2 H 1.874 0.01 2 127 13 15 GLU HB3 H 1.874 0.01 2 128 13 15 GLU HG2 H 2.312 0.01 2 129 13 15 GLU HG3 H 2.312 0.01 2 130 13 15 GLU C C 170.1 0.05 1 131 13 15 GLU CA C 52.85 0.05 1 132 13 15 GLU CB C 31.78 0.05 1 133 13 15 GLU CG C 34.48 0.05 1 134 13 15 GLU N N 117.5 0.1 1 135 14 16 LYS H H 8.618 0.01 1 136 14 16 LYS HA H 5.6 0.01 1 137 14 16 LYS HB2 H 1.783 0.01 2 138 14 16 LYS HB3 H 1.783 0.01 2 139 14 16 LYS HD2 H 1.401 0.01 2 140 14 16 LYS HD3 H 1.401 0.01 2 141 14 16 LYS HG2 H 1.2 0.01 2 142 14 16 LYS HG3 H 1.2 0.01 2 143 14 16 LYS C C 172 0.05 1 144 14 16 LYS CA C 52.43 0.05 1 145 14 16 LYS CB C 34.87 0.05 1 146 14 16 LYS CD C 27.95 0.05 1 147 14 16 LYS CE C 46.5 0.05 1 148 14 16 LYS CG C 21.54 0.05 1 149 14 16 LYS N N 120.7 0.1 1 150 15 17 ARG H H 9.113 0.01 1 151 15 17 ARG HA H 4.719 0.01 1 152 15 17 ARG HB2 H 1.597 0.01 2 153 15 17 ARG HB3 H 1.443 0.01 2 154 15 17 ARG HD2 H 2.14 0.01 2 155 15 17 ARG HD3 H 2.14 0.01 2 156 15 17 ARG HG2 H 1.108 0.01 2 157 15 17 ARG HG3 H 1.108 0.01 2 158 15 17 ARG C C 171 0.05 1 159 15 17 ARG CA C 52.37 0.05 1 160 15 17 ARG CB C 30.35 0.05 1 161 15 17 ARG CD C 40.44 0.05 1 162 15 17 ARG CG C 22.42 0.05 1 163 15 17 ARG N N 121.6 0.1 1 164 16 18 GLY H H 8.226 0.01 1 165 16 18 GLY HA2 H 4.146 0.01 2 166 16 18 GLY HA3 H 3.575 0.01 2 167 16 18 GLY C C 169.9 0.05 1 168 16 18 GLY CA C 41.48 0.05 1 169 16 18 GLY N N 106.5 0.1 1 170 17 19 LYS H H 7.737 0.01 1 171 17 19 LYS HA H 4.475 0.01 1 172 17 19 LYS HB2 H 1.535 0.01 2 173 17 19 LYS HB3 H 1.535 0.01 2 174 17 19 LYS HD2 H 1.703 0.01 2 175 17 19 LYS HD3 H 1.703 0.01 2 176 17 19 LYS HE2 H 2.857 0.01 2 177 17 19 LYS HE3 H 2.857 0.01 2 178 17 19 LYS HG2 H 1.212 0.01 2 179 17 19 LYS HG3 H 1.212 0.01 2 180 17 19 LYS C C 173.8 0.05 1 181 17 19 LYS CA C 52.13 0.05 1 182 17 19 LYS CB C 33.32 0.05 1 183 17 19 LYS CD C 26.56 0.05 1 184 17 19 LYS CE C 39.96 0.05 1 185 17 19 LYS CG C 21.64 0.05 1 186 17 19 LYS N N 115.2 0.1 1 187 18 20 GLY H H 8.719 0.01 1 188 18 20 GLY HA2 H 4.132 0.01 2 189 18 20 GLY HA3 H 3.822 0.01 2 190 18 20 GLY C C 173.8 0.05 1 191 18 20 GLY CA C 43.78 0.05 1 192 18 20 GLY N N 111 0.1 1 193 19 21 LYS H H 7.896 0.01 1 194 19 21 LYS HA H 4.12 0.01 1 195 19 21 LYS HB2 H 1.766 0.01 2 196 19 21 LYS HB3 H 1.571 0.01 2 197 19 21 LYS HD2 H 2.036 0.01 2 198 19 21 LYS HD3 H 2.036 0.01 2 199 19 21 LYS HE2 H 2.906 0.01 2 200 19 21 LYS HE3 H 2.906 0.01 2 201 19 21 LYS HG2 H 1.352 0.01 2 202 19 21 LYS HG3 H 1.352 0.01 2 203 19 21 LYS C C 174 0.05 1 204 19 21 LYS CA C 54.75 0.05 1 205 19 21 LYS CB C 38.29 0.05 1 206 19 21 LYS CD C 29.14 0.05 1 207 19 21 LYS CE C 39.56 0.05 1 208 19 21 LYS CG C 26.26 0.05 1 209 19 21 LYS N N 121.0 0.1 1 210 20 22 ASP H H 7.857 0.01 1 211 20 22 ASP HA H 4.763 0.01 1 212 20 22 ASP HB2 H 2.841 0.01 2 213 20 22 ASP HB3 H 2.577 0.01 2 214 20 22 ASP C C 172.4 0.05 1 215 20 22 ASP CA C 51.30 0.05 1 216 20 22 ASP CB C 38.79 0.05 1 217 20 22 ASP N N 118.8 0.1 1 218 21 23 VAL H H 6.821 0.01 1 219 21 23 VAL HA H 4.059 0.01 1 220 21 23 VAL HB H 1.633 0.01 1 221 21 23 VAL HG1 H 0.636 0.01 2 222 21 23 VAL HG2 H 0.510 0.01 2 223 21 23 VAL C C 172.2 0.05 1 224 21 23 VAL CA C 60.06 0.05 1 225 21 23 VAL CB C 29.85 0.05 1 226 21 23 VAL CG1 C 17.77 0.05 2 227 21 23 VAL CG2 C 17.77 0.05 2 228 21 23 VAL N N 120.5 0.1 1 229 22 24 GLU H H 8.897 0.01 1 230 22 24 GLU HA H 4.807 0.01 1 231 22 24 GLU HB2 H 1.959 0.01 2 232 22 24 GLU HB3 H 1.959 0.01 2 233 22 24 GLU HG2 H 2.101 0.01 2 234 22 24 GLU HG3 H 2.101 0.01 2 235 22 24 GLU C C 171.1 0.05 1 236 22 24 GLU CA C 51.84 0.05 1 237 22 24 GLU CB C 33.07 0.05 1 238 22 24 GLU CG C 34.81 0.05 1 239 22 24 GLU N N 126 0.1 1 240 23 25 TYR H H 9.119 0.01 1 241 23 25 TYR HA H 5.231 0.01 1 242 23 25 TYR HB2 H 2.631 0.01 2 243 23 25 TYR HB3 H 2.224 0.01 2 244 23 25 TYR HD1 H 6.741 0.01 1 245 23 25 TYR HD2 H 6.741 0.01 1 246 23 25 TYR HE1 H 6.697 0.01 1 247 23 25 TYR HE2 H 6.697 0.01 1 248 23 25 TYR C C 170.6 0.05 1 249 23 25 TYR CA C 53.13 0.05 1 250 23 25 TYR CB C 39.23 0.05 1 251 23 25 TYR N N 117.9 0.1 1 252 24 26 LEU H H 8.253 0.01 1 253 24 26 LEU HA H 4.001 0.01 1 254 24 26 LEU HB2 H 1.686 0.01 2 255 24 26 LEU HB3 H 1.686 0.01 2 256 24 26 LEU HD1 H 0.780 0.01 2 257 24 26 LEU HD2 H 0.673 0.01 2 258 24 26 LEU HG H 1.050 0.01 1 259 24 26 LEU C C 171.3 0.05 1 260 24 26 LEU CA C 50.44 0.05 1 261 24 26 LEU CB C 36.69 0.05 1 262 24 26 LEU CD1 C 18.07 0.05 2 263 24 26 LEU CD2 C 18.07 0.05 2 264 24 26 LEU CG C 19.02 0.05 1 265 24 26 LEU N N 128 0.1 1 266 25 27 VAL H H 8.272 0.01 1 267 25 27 VAL HA H 4.129 0.01 1 268 25 27 VAL HB H 1.865 0.01 1 269 25 27 VAL HG1 H 0.9278 0.01 2 270 25 27 VAL HG2 H 0.9278 0.01 2 271 25 27 VAL C C 170.7 0.05 1 272 25 27 VAL CA C 57.42 0.05 1 273 25 27 VAL CB C 31.08 0.05 1 274 25 27 VAL CG1 C 18.34 0.05 2 275 25 27 VAL CG2 C 18.34 0.05 2 276 25 27 VAL N N 124.6 0.1 1 277 26 28 ARG H H 8.116 0.01 1 278 26 28 ARG HA H 4.544 0.01 1 279 26 28 ARG HB2 H 1.517 0.01 2 280 26 28 ARG HB3 H 1.283 0.01 2 281 26 28 ARG HD2 H 3.098 0.01 2 282 26 28 ARG HD3 H 3.098 0.01 2 283 26 28 ARG HG2 H 1.525 0.01 2 284 26 28 ARG HG3 H 1.301 0.01 2 285 26 28 ARG C C 173.4 0.05 1 286 26 28 ARG CA C 51.3 0.05 1 287 26 28 ARG CB C 29.22 0.05 1 288 26 28 ARG CD C 40.89 0.05 1 289 26 28 ARG CG C 24.03 0.05 1 290 26 28 ARG N N 122 0.1 1 291 27 29 TRP H H 8.67 0.01 1 292 27 29 TRP HA H 4.855 0.01 1 293 27 29 TRP HB2 H 3.442 0.01 2 294 27 29 TRP HB3 H 3.008 0.01 2 295 27 29 TRP HE1 H 10.14 0.01 1 296 27 29 TRP HH2 H 6.763 0.01 1 297 27 29 TRP HZ2 H 7.453 0.01 1 298 27 29 TRP HZ3 H 6.434 0.01 1 299 27 29 TRP C C 175.2 0.05 1 300 27 29 TRP CA C 53.46 0.05 1 301 27 29 TRP CB C 27.98 0.05 1 302 27 29 TRP N N 128.7 0.1 1 303 27 29 TRP NE1 N 129.1 0.1 1 304 28 30 LYS H H 8.633 0.01 1 305 28 30 LYS HA H 3.915 0.01 1 306 28 30 LYS HB2 H 1.686 0.01 2 307 28 30 LYS HB3 H 1.525 0.01 2 308 28 30 LYS HD2 H 1.582 0.01 2 309 28 30 LYS HD3 H 1.582 0.01 2 310 28 30 LYS HE2 H 2.919 0.01 2 311 28 30 LYS HE3 H 2.919 0.01 2 312 28 30 LYS HG2 H 1.29 0.01 2 313 28 30 LYS HG3 H 1.29 0.01 2 314 28 30 LYS C C 174.3 0.05 1 315 28 30 LYS CA C 56.51 0.05 1 316 28 30 LYS CB C 30.4 0.05 1 317 28 30 LYS CD C 26.9 0.05 1 318 28 30 LYS CE C 39.71 0.05 1 319 28 30 LYS CG C 22.97 0.05 1 320 28 30 LYS N N 123 0.1 1 321 29 31 ASP H H 8.593 0.01 1 322 29 31 ASP HA H 4.51 0.01 1 323 29 31 ASP HB2 H 2.659 0.01 2 324 29 31 ASP HB3 H 2.545 0.01 2 325 29 31 ASP C C 173.7 0.05 1 326 29 31 ASP CA C 51.82 0.05 1 327 29 31 ASP CB C 37.09 0.05 1 328 29 31 ASP N N 117 0.1 1 329 30 32 GLY H H 8.011 0.01 1 330 30 32 GLY HA2 H 4.225 0.01 2 331 30 32 GLY HA3 H 3.689 0.01 2 332 30 32 GLY C C 172.7 0.05 1 333 30 32 GLY CA C 42.92 0.05 1 334 30 32 GLY N N 110.2 0.1 1 335 31 33 GLY H H 7.626 0.01 1 336 31 33 GLY HA2 H 4.347 0.01 2 337 31 33 GLY HA3 H 3.939 0.01 2 338 31 33 GLY C C 170.9 0.05 1 339 31 33 GLY CA C 42.97 0.05 1 340 31 33 GLY N N 107.1 0.1 1 341 32 34 ASP H H 8.45 0.01 1 342 32 34 ASP HA H 4.612 0.01 1 343 32 34 ASP HB2 H 2.684 0.01 2 344 32 34 ASP HB3 H 2.539 0.01 2 345 32 34 ASP C C 173.2 0.05 1 346 32 34 ASP CA C 51.21 0.05 1 347 32 34 ASP CB C 38.66 0.05 1 348 32 34 ASP N N 120.6 0.1 1 349 33 35 CYS H H 8.307 0.01 1 350 33 35 CYS HA H 5.233 0.01 1 351 33 35 CYS HB2 H 2.463 0.01 2 352 33 35 CYS HB3 H 2.077 0.01 2 353 33 35 CYS C C 172.1 0.05 1 354 33 35 CYS CA C 54.93 0.05 1 355 33 35 CYS CB C 26.21 0.05 1 356 33 35 CYS N N 117 0.1 1 357 34 36 GLU H H 8.319 0.01 1 358 34 36 GLU HA H 4.28 0.01 1 359 34 36 GLU HB2 H 1.618 0.01 2 360 34 36 GLU HB3 H 1.618 0.01 2 361 34 36 GLU HG2 H 2.201 0.01 2 362 34 36 GLU HG3 H 2.201 0.01 2 363 34 36 GLU C C 171.7 0.05 1 364 34 36 GLU CA C 52.09 0.05 1 365 34 36 GLU CB C 32.36 0.05 1 366 34 36 GLU CG C 34.75 0.05 1 367 34 36 GLU N N 122.5 0.1 1 368 35 37 TRP H H 8.606 0.01 1 369 35 37 TRP HA H 4.918 0.01 1 370 35 37 TRP HB2 H 2.922 0.01 2 371 35 37 TRP HB3 H 2.756 0.01 2 372 35 37 TRP HE1 H 10.07 0.01 1 373 35 37 TRP HH2 H 6.752 0.01 1 374 35 37 TRP HZ2 H 7.102 0.01 1 375 35 37 TRP HZ3 H 6.434 0.01 1 376 35 37 TRP C C 174.3 0.05 1 377 35 37 TRP CA C 54.61 0.05 1 378 35 37 TRP CB C 26.65 0.05 1 379 35 37 TRP N N 125.2 0.1 1 380 35 37 TRP NE1 N 128.9 0.1 1 381 36 38 VAL H H 9.732 0.01 1 382 36 38 VAL HA H 4.632 0.01 1 383 36 38 VAL HB H 2.045 0.01 1 384 36 38 VAL HG1 H 1.044 0.01 2 385 36 38 VAL HG2 H 0.842 0.01 2 386 36 38 VAL C C 172.8 0.05 1 387 36 38 VAL CA C 57.39 0.05 1 388 36 38 VAL CB C 32.95 0.05 1 389 36 38 VAL CG1 C 18.31 0.05 2 390 36 38 VAL CG2 C 18.31 0.05 2 391 36 38 VAL N N 124 0.1 1 392 37 39 LYS H H 8.896 0.01 1 393 37 39 LYS HA H 4.291 0.01 1 394 37 39 LYS HB2 H 1.881 0.01 2 395 37 39 LYS HB3 H 1.695 0.01 2 396 37 39 LYS HD2 H 1.636 0.01 2 397 37 39 LYS HD3 H 1.636 0.01 2 398 37 39 LYS HE2 H 2.967 0.01 2 399 37 39 LYS HE3 H 2.967 0.01 2 400 37 39 LYS HG2 H 1.425 0.01 2 401 37 39 LYS HG3 H 1.425 0.01 2 402 37 39 LYS C C 175.4 0.05 1 403 37 39 LYS CA C 54.85 0.05 1 404 37 39 LYS CB C 30.3 0.05 1 405 37 39 LYS CD C 26.53 0.05 1 406 37 39 LYS CE C 39.69 0.05 1 407 37 39 LYS CG C 23.03 0.05 1 408 37 39 LYS N N 123.9 0.1 1 409 38 40 GLY H H 8.593 0.01 1 410 38 40 GLY HA2 H 3.768 0.01 2 411 38 40 GLY HA3 H 3.641 0.01 2 412 38 40 GLY C C 172.7 0.05 1 413 38 40 GLY CA C 45.11 0.05 1 414 38 40 GLY N N 109.9 0.1 1 415 39 41 VAL H H 7.45 0.01 1 416 39 41 VAL HA H 4.091 0.01 1 417 39 41 VAL HB H 1.984 0.01 1 418 39 41 VAL HG1 H 0.692 0.01 2 419 39 41 VAL HG2 H 0.487 0.01 2 420 39 41 VAL C C 173.6 0.05 1 421 39 41 VAL CA C 60.43 0.05 1 422 39 41 VAL CB C 28.64 0.05 1 423 39 41 VAL CG1 C 18.05 0.05 2 424 39 41 VAL CG2 C 18.05 0.05 2 425 39 41 VAL N N 113.3 0.1 1 426 40 42 HIS H H 7.982 0.01 1 427 40 42 HIS HA H 4.816 0.01 1 428 40 42 HIS HB2 H 3.351 0.01 2 429 40 42 HIS HB3 H 3.068 0.01 2 430 40 42 HIS HD2 H 7.069 0.01 1 431 40 42 HIS HE1 H 7.431 0.01 1 432 40 42 HIS C C 171.5 0.05 1 433 40 42 HIS CA C 52.84 0.05 1 434 40 42 HIS CB C 27.94 0.05 1 435 40 42 HIS N N 119.1 0.1 1 436 41 43 VAL H H 7.72 0.01 1 437 41 43 VAL HA H 4.206 0.01 1 438 41 43 VAL HB H 1.989 0.01 1 439 41 43 VAL HG1 H 0.772 0.01 2 440 41 43 VAL HG2 H 0.772 0.01 2 441 41 43 VAL C C 172.1 0.05 1 442 41 43 VAL CA C 58.95 0.05 1 443 41 43 VAL CB C 30.45 0.05 1 444 41 43 VAL CG1 C 19.26 0.05 2 445 41 43 VAL CG2 C 19.26 0.05 2 446 41 43 VAL N N 120.3 0.1 1 447 42 44 ALA H H 8.53 0.01 1 448 42 44 ALA HA H 3.926 0.01 1 449 42 44 ALA HB H 1.377 0.01 1 450 42 44 ALA C C 175.4 0.05 1 451 42 44 ALA CA C 50.28 0.05 1 452 42 44 ALA CB C 16.91 0.05 1 453 42 44 ALA N N 129.4 0.1 1 454 43 45 GLU H H 8.583 0.01 1 455 43 45 GLU HA H 3.893 0.01 1 456 43 45 GLU HB2 H 1.712 0.01 2 457 43 45 GLU HB3 H 1.527 0.01 2 458 43 45 GLU HG2 H 1.276 0.01 2 459 43 45 GLU HG3 H 1.276 0.01 2 460 43 45 GLU C C 175.3 0.05 1 461 43 45 GLU CA C 56.62 0.05 1 462 43 45 GLU CB C 27.21 0.05 1 463 43 45 GLU CG C 33.86 0.05 1 464 43 45 GLU N N 121.1 0.1 1 465 44 46 ASP H H 8.661 0.01 1 466 44 46 ASP HA H 4.239 0.01 1 467 44 46 ASP HB2 H 2.553 0.01 2 468 44 46 ASP HB3 H 2.553 0.01 2 469 44 46 ASP C C 174.5 0.05 1 470 44 46 ASP CA C 53.46 0.05 1 471 44 46 ASP CB C 37.15 0.05 1 472 44 46 ASP N N 117.3 0.1 1 473 45 47 VAL H H 7.118 0.01 1 474 45 47 VAL HA H 3.544 0.01 1 475 45 47 VAL HB H 1.875 0.01 1 476 45 47 VAL HG1 H 0.553 0.01 2 477 45 47 VAL HG2 H 0.553 0.01 2 478 45 47 VAL C C 175.5 0.05 1 479 45 47 VAL CA C 61.6 0.05 1 480 45 47 VAL CB C 28.99 0.05 1 481 45 47 VAL CG1 C 22.08 0.05 2 482 45 47 VAL CG2 C 22.08 0.05 2 483 45 47 VAL N N 121.2 0.1 1 484 46 48 ALA H H 7.72 0.01 1 485 46 48 ALA HA H 3.629 0.01 1 486 46 48 ALA HB H 1.273 0.01 1 487 46 48 ALA C C 175.9 0.05 1 488 46 48 ALA CA C 52.02 0.05 1 489 46 48 ALA CB C 15.54 0.05 1 490 46 48 ALA N N 122.7 0.1 1 491 47 49 LYS H H 8.188 0.01 1 492 47 49 LYS HA H 3.893 0.01 1 493 47 49 LYS HB2 H 1.706 0.01 2 494 47 49 LYS HB3 H 1.706 0.01 2 495 47 49 LYS HG2 H 1.30 0.01 2 496 47 49 LYS HG3 H 1.30 0.01 2 497 47 49 LYS C C 175.1 0.05 1 498 47 49 LYS CA C 56.13 0.05 1 499 47 49 LYS CB C 29.64 0.05 1 500 47 49 LYS CD C 26.54 0.05 1 501 47 49 LYS CE C 39.78 0.05 1 502 47 49 LYS CG C 23.59 0.05 1 503 47 49 LYS N N 118.4 0.1 1 504 48 50 ASP H H 7.817 0.01 1 505 48 50 ASP HA H 4.255 0.01 1 506 48 50 ASP HB2 H 2.67 0.01 2 507 48 50 ASP HB3 H 2.571 0.01 2 508 48 50 ASP C C 175.5 0.05 1 509 48 50 ASP CA C 53.78 0.05 1 510 48 50 ASP CB C 37.62 0.05 1 511 48 50 ASP N N 118.3 0.1 1 512 49 51 TYR H H 7.412 0.01 1 513 49 51 TYR HA H 4.216 0.01 1 514 49 51 TYR HB2 H 3.139 0.01 2 515 49 51 TYR HB3 H 2.941 0.01 2 516 49 51 TYR HD1 H 6.96 0.01 1 517 49 51 TYR HD2 H 6.96 0.01 1 518 49 51 TYR HE1 H 6.555 0.01 1 519 49 51 TYR HE2 H 6.555 0.01 1 520 49 51 TYR C C 174.3 0.05 1 521 49 51 TYR CA C 57.87 0.05 1 522 49 51 TYR CB C 35.23 0.05 1 523 49 51 TYR N N 119.6 0.1 1 524 50 52 GLU H H 8.417 0.01 1 525 50 52 GLU HA H 4.641 0.01 1 526 50 52 GLU HB2 H 2.644 0.01 2 527 50 52 GLU HB3 H 2.553 0.01 2 528 50 52 GLU HG2 H 2.890 0.01 2 529 50 52 GLU HG3 H 2.890 0.01 2 530 50 52 GLU C C 172.3 0.05 1 531 50 52 GLU CA C 55.42 0.05 1 532 50 52 GLU CB C 29.51 0.05 1 533 50 52 GLU CG C 34.28 0.05 1 534 50 52 GLU N N 120.1 0.1 1 535 51 53 ASP H H 8.626 0.01 1 536 51 53 ASP HA H 4.313 0.01 1 537 51 53 ASP HB2 H 2.599 0.01 2 538 51 53 ASP HB3 H 2.599 0.01 2 539 51 53 ASP C C 175.1 0.05 1 540 51 53 ASP CA C 53.16 0.05 1 541 51 53 ASP CB C 37.85 0.05 1 542 51 53 ASP N N 119.6 0.1 1 543 52 54 GLY H H 7.61 0.01 1 544 52 54 GLY HA2 H 3.927 0.01 2 545 52 54 GLY HA3 H 3.732 0.01 2 546 52 54 GLY C C 171.9 0.01 1 547 52 54 GLY CA C 42.98 0.01 1 548 52 54 GLY N N 106.8 0.01 1 549 53 55 LEU H H 7.257 0.01 1 550 53 55 LEU HA H 3.822 0.01 1 551 53 55 LEU HB2 H 1.507 0.01 2 552 53 55 LEU HB3 H 1.269 0.01 2 553 53 55 LEU HD1 H 0.715 0.01 2 554 53 55 LEU HD2 H 0.537 0.01 2 555 53 55 LEU C C 174.6 0.05 1 556 53 55 LEU CA C 52.34 0.05 1 557 53 55 LEU CB C 39.45 0.05 1 558 53 55 LEU CD1 C 22.65 0.05 2 559 53 55 LEU CD2 C 22.65 0.05 2 560 53 55 LEU N N 120.6 0.1 1 561 54 56 GLU H H 7.947 0.01 1 562 54 56 GLU HA H 4.107 0.01 1 563 54 56 GLU HB2 H 1.772 0.01 2 564 54 56 GLU HB3 H 1.772 0.01 2 565 54 56 GLU HG2 H 2.048 0.01 2 566 54 56 GLU HG3 H 2.048 0.01 2 567 54 56 GLU C C 173.1 0.05 1 568 54 56 GLU CA C 53.4 0.05 1 569 54 56 GLU CB C 27.73 0.05 1 570 54 56 GLU CG C 33.49 0.05 1 571 54 56 GLU N N 120.5 0.1 1 572 55 57 TYR H H 7.88 0.01 1 573 55 57 TYR HA H 4.397 0.01 1 574 55 57 TYR HB2 H 2.939 0.01 2 575 55 57 TYR HB3 H 2.821 0.01 2 576 55 57 TYR HD1 H 7.223 0.01 1 577 55 57 TYR HD2 H 7.223 0.01 1 578 55 57 TYR HE1 H 6.949 0.01 1 579 55 57 TYR HE2 H 6.949 0.01 1 580 55 57 TYR C C 172.2 0.05 1 581 55 57 TYR CA C 54.52 0.05 1 582 55 57 TYR CB C 36.2 0.05 1 583 55 57 TYR N N 120.96 0.1 1 584 56 58 ALA H H 8.038 0.01 1 585 56 58 ALA HA H 4.22 0.01 1 586 56 58 ALA HB H 1.064 0.01 1 587 56 58 ALA C C 173.9 0.05 1 588 56 58 ALA CA C 49.44 0.05 1 589 56 58 ALA CB C 17.04 0.05 1 590 56 58 ALA N N 125.7 0.1 1 591 57 59 VAL H H 8.466 0.01 1 592 57 59 VAL HA H 4.374 0.01 1 593 57 59 VAL HB H 2.034 0.01 1 594 57 59 VAL HG1 H 0.897 0.01 2 595 57 59 VAL HG2 H 0.897 0.01 2 596 57 59 VAL C C 173.2 0.05 1 597 57 59 VAL CA C 58.63 0.05 1 598 57 59 VAL CB C 31.17 0.05 1 599 57 59 VAL CG1 C 18.14 0.05 2 600 57 59 VAL CG2 C 18.14 0.05 2 601 57 59 VAL N N 120.1 0.1 1 602 58 60 ALA H H 8.822 0.01 1 603 58 60 ALA HA H 3.719 0.01 1 604 58 60 ALA HB H 0.744 0.01 1 605 58 60 ALA C C 173.2 0.05 1 606 58 60 ALA CA C 50.33 0.05 1 607 58 60 ALA CB C 16.45 0.05 1 608 58 60 ALA N N 131 0.1 1 609 59 61 GLU H H 9.258 0.01 1 610 59 61 GLU HA H 4.153 0.01 1 611 59 61 GLU HB2 H 1.771 0.01 2 612 59 61 GLU HB3 H 1.68 0.01 2 613 59 61 GLU HG2 H 2.018 0.01 2 614 59 61 GLU HG3 H 1.912 0.01 2 615 59 61 GLU C C 173.3 0.05 1 616 59 61 GLU CA C 54.52 0.05 1 617 59 61 GLU CB C 29.52 0.05 1 618 59 61 GLU CG C 33.56 0.05 1 619 59 61 GLU N N 123.2 0.1 1 620 60 62 SER H H 7.538 0.01 1 621 60 62 SER HA H 4.33 0.01 1 622 60 62 SER HB2 H 3.712 0.01 2 623 60 62 SER HB3 H 3.468 0.01 2 624 60 62 SER C C 168.7 0.05 1 625 60 62 SER CA C 54.8 0.05 1 626 60 62 SER CB C 62.34 0.05 1 627 60 62 SER N N 108.7 0.1 1 628 61 63 VAL H H 8.48 0.01 1 629 61 63 VAL HA H 4.358 0.01 1 630 61 63 VAL HB H 1.473 0.01 1 631 61 63 VAL HG1 H 0.408 0.01 2 632 61 63 VAL HG2 H 0.408 0.01 2 633 61 63 VAL C C 173.1 0.05 1 634 61 63 VAL CA C 58.67 0.05 1 635 61 63 VAL CB C 30.55 0.05 1 636 61 63 VAL CG1 C 20.01 0.05 2 637 61 63 VAL CG2 C 20.01 0.05 2 638 61 63 VAL N N 121.2 0.1 1 639 62 64 ILE H H 8.756 0.01 1 640 62 64 ILE HA H 4.55 0.01 1 641 62 64 ILE HB H 2.015 0.01 1 642 62 64 ILE HG12 H 0.469 0.01 2 643 62 64 ILE HG13 H 0.469 0.01 2 644 62 64 ILE HG2 H 0.611 0.01 1 645 62 64 ILE C C 173 0.05 1 646 62 64 ILE CA C 57.89 0.05 1 647 62 64 ILE CB C 37 0.05 1 648 62 64 ILE CD1 C 11.28 0.05 1 649 62 64 ILE CG1 C 23.63 0.05 1 650 62 64 ILE CG2 C 15.28 0.05 1 651 62 64 ILE N N 116 0.1 1 652 63 65 GLY H H 6.889 0.01 1 653 63 65 GLY HA2 H 4.225 0.01 2 654 63 65 GLY HA3 H 3.668 0.01 2 655 63 65 GLY C C 167.7 0.05 1 656 63 65 GLY CA C 43.08 0.05 1 657 63 65 GLY N N 110.1 0.1 1 658 64 66 LYS H H 8.597 0.01 1 659 64 66 LYS HA H 5.317 0.01 1 660 64 66 LYS HB2 H 1.689 0.01 2 661 64 66 LYS HB3 H 1.689 0.01 2 662 64 66 LYS HD2 H 1.005 0.01 2 663 64 66 LYS HD3 H 1.005 0.01 2 664 64 66 LYS HG2 H 0.739 0.01 2 665 64 66 LYS HG3 H 0.739 0.01 2 666 64 66 LYS C C 171.2 0.05 1 667 64 66 LYS CA C 53.4 0.05 1 668 64 66 LYS CB C 34.6 0.05 1 669 64 66 LYS CD C 27.69 0.05 1 670 64 66 LYS CE C 40.55 0.05 1 671 64 66 LYS CG C 22 0.05 1 672 64 66 LYS N N 121 0.1 1 673 65 67 ARG H H 9.239 0.01 1 674 65 67 ARG HA H 4.628 0.01 1 675 65 67 ARG HB2 H 1.433 0.01 2 676 65 67 ARG HB3 H 1.181 0.01 2 677 65 67 ARG HD2 H 2.669 0.01 2 678 65 67 ARG HD3 H 2.669 0.01 2 679 65 67 ARG HG2 H 0.495 0.01 2 680 65 67 ARG HG3 H 0.495 0.01 2 681 65 67 ARG C C 169.9 0.05 1 682 65 67 ARG CA C 51.76 0.05 1 683 65 67 ARG CB C 29.74 0.05 1 684 65 67 ARG CD C 39.52 0.05 1 685 65 67 ARG CG C 22.44 0.05 1 686 65 67 ARG N N 124.1 0.1 1 687 66 68 VAL H H 8.003 0.01 1 688 66 68 VAL HA H 4.250 0.01 1 689 66 68 VAL HB H 1.676 0.01 1 690 66 68 VAL HG1 H 0.742 0.01 2 691 66 68 VAL HG2 H 0.742 0.01 2 692 66 68 VAL C C 173.9 0.05 1 693 66 68 VAL CA C 58.9 0.05 1 694 66 68 VAL CB C 29.86 0.05 1 695 66 68 VAL CG1 C 18.21 0.05 2 696 66 68 VAL CG2 C 18.21 0.05 2 697 66 68 VAL N N 119.8 0.1 1 698 67 69 GLY H H 8.943 0.01 1 699 67 69 GLY HA2 H 3.825 0.01 2 700 67 69 GLY HA3 H 3.565 0.01 2 701 67 69 GLY C C 172 0.05 1 702 67 69 GLY CA C 41.6 0.05 1 703 67 69 GLY N N 120.2 0.1 1 704 68 70 ASP H H 8.587 0.01 1 705 68 70 ASP HA H 4.128 0.01 1 706 68 70 ASP HB2 H 2.514 0.01 2 707 68 70 ASP HB3 H 2.514 0.01 2 708 68 70 ASP C C 173.9 0.05 1 709 68 70 ASP CA C 53.89 0.05 1 710 68 70 ASP CB C 37.54 0.05 1 711 68 70 ASP N N 120.2 0.1 1 712 69 71 ASP H H 8.017 0.01 1 713 69 71 ASP HA H 4.275 0.01 1 714 69 71 ASP HB2 H 2.867 0.01 2 715 69 71 ASP HB3 H 2.595 0.01 2 716 69 71 ASP C C 174.9 0.05 1 717 69 71 ASP CA C 51.08 0.05 1 718 69 71 ASP CB C 37.19 0.05 1 719 69 71 ASP N N 116.9 0.1 1 720 70 72 GLY H H 8.176 0.01 1 721 70 72 GLY HA2 H 4.011 0.01 2 722 70 72 GLY HA3 H 3.526 0.01 2 723 70 72 GLY C C 171 0.05 1 724 70 72 GLY CA C 43.06 0.05 1 725 70 72 GLY N N 108.3 0.1 1 726 71 73 LYS H H 8.384 0.01 1 727 71 73 LYS HA H 4.341 0.01 1 728 71 73 LYS HB2 H 1.625 0.01 2 729 71 73 LYS HB3 H 1.523 0.01 2 730 71 73 LYS HD2 H 1.243 0.01 2 731 71 73 LYS HD3 H 1.243 0.01 2 732 71 73 LYS HG2 H 1.181 0.01 2 733 71 73 LYS HG3 H 1.181 0.01 2 734 71 73 LYS C C 173.3 0.05 1 735 71 73 LYS CA C 54.38 0.05 1 736 71 73 LYS CB C 33.37 0.05 1 737 71 73 LYS CD C 26.22 0.05 1 738 71 73 LYS CE C 39.14 0.05 1 739 71 73 LYS CG C 21.6 0.05 1 740 71 73 LYS N N 119.3 0.1 1 741 72 74 THR H H 9.774 0.01 1 742 72 74 THR HA H 4.034 0.01 1 743 72 74 THR HB H 3.981 0.01 1 744 72 74 THR HG2 H 1.167 0.01 1 745 72 74 THR C C 170.6 0.05 1 746 72 74 THR CA C 61.38 0.05 1 747 72 74 THR CB C 65.83 0.05 1 748 72 74 THR CG2 C 18.67 0.05 1 749 72 74 THR N N 122.3 0.1 1 750 73 75 ILE H H 8.292 0.01 1 751 73 75 ILE HA H 4.267 0.01 1 752 73 75 ILE HB H 1.629 0.01 1 753 73 75 ILE HD1 H 0.357 0.01 1 754 73 75 ILE HG12 H 1.445 0.01 2 755 73 75 ILE HG13 H 1.445 0.01 2 756 73 75 ILE HG2 H 0.664 0.01 1 757 73 75 ILE C C 172.2 0.05 1 758 73 75 ILE CA C 57.46 0.05 1 759 73 75 ILE CB C 35 0.05 1 760 73 75 ILE CD1 C 9.136 0.05 1 761 73 75 ILE CG1 C 24.93 0.05 1 762 73 75 ILE CG2 C 15.14 0.05 1 763 73 75 ILE N N 128.4 0.1 1 764 74 76 GLU H H 8.616 0.01 1 765 74 76 GLU HA H 4.94 0.01 1 766 74 76 GLU HB2 H 1.739 0.01 2 767 74 76 GLU HB3 H 1.542 0.01 2 768 74 76 GLU HG2 H 1.90 0.01 2 769 74 76 GLU HG3 H 1.90 0.01 2 770 74 76 GLU C C 171.6 0.05 1 771 74 76 GLU CA C 50.88 0.05 1 772 74 76 GLU CB C 32.03 0.05 1 773 74 76 GLU CG C 33.58 0.05 1 774 74 76 GLU N N 125 0.1 1 775 75 77 TYR H H 9.207 0.01 1 776 75 77 TYR HA H 5.14 0.01 1 777 75 77 TYR HB2 H 2.817 0.01 2 778 75 77 TYR HB3 H 2.25 0.01 2 779 75 77 TYR HD1 H 6.828 0.01 1 780 75 77 TYR HD2 H 6.828 0.01 1 781 75 77 TYR HE1 H 6.476 0.01 1 782 75 77 TYR HE2 H 6.476 0.01 1 783 75 77 TYR C C 170.6 0.05 1 784 75 77 TYR CA C 53.87 0.05 1 785 75 77 TYR CB C 39.2 0.05 1 786 75 77 TYR N N 117.8 0.1 1 787 76 78 LEU H H 7.363 0.01 1 788 76 78 LEU HA H 3.525 0.01 1 789 76 78 LEU HB2 H -1.522 0.01 2 790 76 78 LEU HB3 H -1.522 0.01 2 791 76 78 LEU HD1 H -0.845 0.01 2 792 76 78 LEU HD2 H -0.845 0.01 2 793 76 78 LEU HG H 0.137 0.01 1 794 76 78 LEU C C 171.3 0.05 1 795 76 78 LEU CA C 50.29 0.01 1 796 76 78 LEU CB C 36.26 0.01 1 797 76 78 LEU CD1 C 22.32 0.01 2 798 76 78 LEU CD2 C 22.32 0.01 2 799 76 78 LEU CG C 16.76 0.01 1 800 76 78 LEU N N 127.6 0.1 1 801 77 79 VAL H H 8.998 0.01 1 802 77 79 VAL HA H 3.922 0.01 1 803 77 79 VAL HB H 1.521 0.01 1 804 77 79 VAL HG1 H 0.464 0.01 2 805 77 79 VAL C C 171.3 0.05 1 806 77 79 VAL CA C 59.29 0.05 1 807 77 79 VAL CB C 31.05 0.05 1 808 77 79 VAL CG1 C 20 0.05 2 809 77 79 VAL CG2 C 20 0.05 2 810 77 79 VAL N N 129.6 0.1 1 811 78 80 LYS H H 8.145 0.01 1 812 78 80 LYS HA H 4.224 0.01 1 813 78 80 LYS HB2 H 1.738 0.01 2 814 78 80 LYS HB3 H 1.218 0.01 2 815 78 80 LYS HD2 H 1.448 0.01 2 816 78 80 LYS HD3 H 1.448 0.01 2 817 78 80 LYS HE2 H 2.738 0.01 2 818 78 80 LYS HE3 H 2.738 0.01 2 819 78 80 LYS HG2 H 1.641 0.01 2 820 78 80 LYS HG3 H 1.641 0.01 2 821 78 80 LYS C C 172.5 0.05 1 822 78 80 LYS CA C 51.58 0.05 1 823 78 80 LYS CB C 30.92 0.05 1 824 78 80 LYS CD C 26.39 0.05 1 825 78 80 LYS CE C 36.68 0.05 1 826 78 80 LYS CG C 22.35 0.05 1 827 78 80 LYS N N 124.7 0.1 1 828 79 81 TRP H H 8.95 0.01 1 829 79 81 TRP HA H 4.757 0.01 1 830 79 81 TRP HB2 H 3.241 0.01 2 831 79 81 TRP HB3 H 2.927 0.01 2 832 79 81 TRP HH2 H 6.829 0.01 1 833 79 81 TRP HZ2 H 7.09 0.01 1 834 79 81 TRP C C 174.7 0.05 1 835 79 81 TRP CA C 53.33 0.05 1 836 79 81 TRP CB C 28.91 0.05 1 837 79 81 TRP N N 128.8 0.1 1 838 79 81 TRP NE1 N 129.1 0.1 1 839 80 82 THR H H 8.89 0.01 1 840 80 82 THR HA H 4.037 0.01 1 841 80 82 THR HB H 3.722 0.01 1 842 80 82 THR HG2 H 1.174 0.01 1 843 80 82 THR CA C 64.95 0.05 1 844 80 82 THR N N 116.3 0.1 1 845 81 83 ASP HA H 4.35 0.01 1 846 81 83 ASP HB2 H 2.774 0.01 2 847 81 83 ASP HB3 H 2.774 0.01 2 848 81 83 ASP C C 172.6 0.05 1 849 81 83 ASP CA C 52.37 0.05 1 850 81 83 ASP CB C 37.49 0.05 1 851 82 84 MET H H 7.607 0.01 1 852 82 84 MET HA H 4.636 0.01 1 853 82 84 MET HB2 H 2.016 0.01 2 854 82 84 MET HB3 H 2.155 0.01 2 855 82 84 MET HG2 H 2.436 0.01 2 856 82 84 MET HG3 H 2.436 0.01 2 857 82 84 MET C C 173.9 0.05 1 858 82 84 MET CA C 52.51 0.05 1 859 82 84 MET CB C 30.79 0.05 1 860 82 84 MET N N 114.8 0.1 1 861 83 85 SER HA H 4.191 0.01 1 862 83 85 SER HB2 H 3.764 0.01 2 863 83 85 SER HB3 H 3.764 0.01 2 864 83 85 SER C C 171.6 0.05 1 865 83 85 SER CA C 57.32 0.05 1 866 83 85 SER CB C 60.42 0.05 1 867 84 86 ASP H H 8.067 0.01 1 868 84 86 ASP HA H 4.623 0.01 1 869 84 86 ASP HB2 H 2.505 0.01 2 870 84 86 ASP HB3 H 2.38 0.01 2 871 84 86 ASP C C 173 0.05 1 872 84 86 ASP CA C 51.78 0.05 1 873 84 86 ASP CB C 38.68 0.05 1 874 84 86 ASP N N 120.2 0.1 1 875 85 87 ALA H H 8.35 0.01 1 876 85 87 ALA HA H 4.926 0.01 1 877 85 87 ALA HB H 0.878 0.01 1 878 85 87 ALA C C 175 0.05 1 879 85 87 ALA CA C 49.47 0.05 1 880 85 87 ALA CB C 16.72 0.05 1 881 85 87 ALA N N 127.4 0.1 1 882 86 88 THR H H 8.49 0.01 1 883 86 88 THR HA H 4.579 0.01 1 884 86 88 THR HB H 4.276 0.01 1 885 86 88 THR HG2 H 1.147 0.01 1 886 86 88 THR C C 170.5 0.05 1 887 86 88 THR CA C 56.92 0.05 1 888 86 88 THR CB C 68.58 0.05 1 889 86 88 THR CG2 C 19.82 0.05 1 890 86 88 THR N N 111.7 0.1 1 891 87 89 TRP H H 8.45 0.01 1 892 87 89 TRP HA H 4.827 0.01 1 893 87 89 TRP HB2 H 2.851 0.01 2 894 87 89 TRP HB3 H 2.669 0.01 2 895 87 89 TRP HE1 H 10.69 0.01 1 896 87 89 TRP HH2 H 6.763 0.01 1 897 87 89 TRP HZ2 H 7.453 0.01 1 898 87 89 TRP HZ3 H 6.434 0.01 1 899 87 89 TRP C C 174.2 0.05 1 900 87 89 TRP CA C 53.94 0.05 1 901 87 89 TRP CB C 26.76 0.05 1 902 87 89 TRP N N 123.3 0.1 1 903 87 89 TRP NE1 N 128.9 0.1 1 904 88 90 GLU H H 9.702 0.01 1 905 88 90 GLU HA H 5.083 0.01 1 906 88 90 GLU HB2 H 1.747 0.01 2 907 88 90 GLU HB3 H 1.542 0.01 2 908 88 90 GLU HG2 H 2.052 0.01 2 909 88 90 GLU HG3 H 2.052 0.01 2 910 88 90 GLU C C 171.1 0.05 1 911 88 90 GLU CA C 49.41 0.05 1 912 88 90 GLU CB C 29.78 0.05 1 913 88 90 GLU N N 125.2 0.1 1 914 89 91 PRO HA H 4.619 0.01 1 915 89 91 PRO HB2 H 2.359 0.01 2 916 89 91 PRO HB3 H 2.072 0.01 2 917 89 91 PRO HD2 H 3.881 0.01 2 918 89 91 PRO HD3 H 3.881 0.01 2 919 89 91 PRO HG2 H 2.072 0.01 2 920 89 91 PRO HG3 H 2.072 0.01 2 921 89 91 PRO C C 175.6 0.05 1 922 89 91 PRO CA C 59.87 0.05 1 923 89 91 PRO CB C 29.54 0.05 1 924 89 91 PRO CD C 47.64 0.05 1 925 89 91 PRO CG C 24.59 0.05 1 926 90 92 GLN H H 8.433 0.01 1 927 90 92 GLN HA H 3.987 0.01 1 928 90 92 GLN HB2 H 2.345 0.01 2 929 90 92 GLN HB3 H 2.129 0.01 2 930 90 92 GLN HG2 H 2.519 0.01 2 931 90 92 GLN HG3 H 2.519 0.01 2 932 90 92 GLN C C 173.7 0.05 1 933 90 92 GLN CA C 56.95 0.05 1 934 90 92 GLN CB C 26.15 0.05 1 935 90 92 GLN CG C 30.10 0.05 1 936 90 92 GLN N N 118.9 0.1 1 937 91 93 ASP H H 8.551 0.01 1 938 91 93 ASP HA H 4.46 0.01 1 939 91 93 ASP HB2 H 2.691 0.01 2 940 91 93 ASP HB3 H 2.531 0.01 2 941 91 93 ASP C C 173.7 0.05 1 942 91 93 ASP CA C 53.2 0.05 1 943 91 93 ASP CB C 37.4 0.05 1 944 91 93 ASP N N 116 0.1 1 945 92 94 ASN H H 8.256 0.01 1 946 92 94 ASN HA H 4.924 0.01 1 947 92 94 ASN HB2 H 3.073 0.01 2 948 92 94 ASN HB3 H 2.705 0.01 2 949 92 94 ASN C C 171.8 0.05 1 950 92 94 ASN CA C 49.73 0.01 1 951 92 94 ASN CB C 37.26 0.01 1 952 92 94 ASN N N 116.4 0.1 1 953 93 95 VAL H H 7.257 0.01 1 954 93 95 VAL HA H 3.947 0.01 1 955 93 95 VAL HB H 1.639 0.01 1 956 93 95 VAL HG1 H 0.721 0.01 2 957 93 95 VAL HG2 H 0.480 0.01 2 958 93 95 VAL C C 171.8 0.05 1 959 93 95 VAL CA C 58.66 0.05 1 960 93 95 VAL CB C 30.85 0.05 1 961 93 95 VAL CG1 C 18.86 0.05 2 962 93 95 VAL CG2 C 18.86 0.05 2 963 93 95 VAL N N 119.7 0.1 1 964 94 96 ASP H H 8.456 0.01 1 965 94 96 ASP HA H 4.271 0.01 1 966 94 96 ASP HB2 H 2.588 0.01 2 967 94 96 ASP HB3 H 2.418 0.01 2 968 94 96 ASP C C 174.9 0.05 1 969 94 96 ASP CA C 52.59 0.05 1 970 94 96 ASP CB C 45.69 0.05 1 971 94 96 ASP N N 128.2 0.1 1 972 95 97 SER H H 8.776 0.01 1 973 95 97 SER HA H 3.838 0.01 1 974 95 97 SER HB2 H 3.688 0.01 2 975 95 97 SER HB3 H 3.688 0.01 2 976 95 97 SER C C 174 0.05 1 977 95 97 SER CA C 59.07 0.05 1 978 95 97 SER CB C 60.11 0.05 1 979 95 97 SER N N 122.8 0.1 1 980 96 98 THR H H 8.487 0.01 1 981 96 98 THR HA H 4.078 0.01 1 982 96 98 THR HB H 3.857 0.01 1 983 96 98 THR HG2 H 1.145 0.01 1 984 96 98 THR C C 173.8 0.05 1 985 96 98 THR CA C 63.44 0.05 1 986 96 98 THR CB C 65.5 0.05 1 987 96 98 THR CG2 C 19.27 0.05 1 988 96 98 THR N N 118.4 0.1 1 989 97 99 LEU H H 7.322 0.01 1 990 97 99 LEU HA H 3.959 0.01 1 991 97 99 LEU HB2 H 1.64 0.01 2 992 97 99 LEU HB3 H 1.155 0.01 2 993 97 99 LEU HD1 H 0.536 0.01 2 994 97 99 LEU HD2 H 0.536 0.01 2 995 97 99 LEU HG H 1.466 0.01 1 996 97 99 LEU C C 177.8 0.05 1 997 97 99 LEU CA C 54.74 0.05 1 998 97 99 LEU CB C 39.02 0.05 1 999 97 99 LEU CD1 C 19.79 0.05 2 1000 97 99 LEU CD2 C 19.79 0.05 2 1001 97 99 LEU CG C 22.88 0.05 1 1002 97 99 LEU N N 120.1 0.1 1 1003 98 100 VAL H H 7.05 0.01 1 1004 98 100 VAL HA H 4.06 0.01 1 1005 98 100 VAL HB H 1.724 0.01 1 1006 98 100 VAL HG1 H 0.664 0.01 2 1007 98 100 VAL HG2 H 0.151 0.01 2 1008 98 100 VAL C C 174.7 0.05 1 1009 98 100 VAL CA C 64.12 0.05 1 1010 98 100 VAL CB C 28.82 0.05 1 1011 98 100 VAL CG1 C 23 0.05 2 1012 98 100 VAL CG2 C 23 0.05 2 1013 98 100 VAL N N 120.4 0.1 1 1014 99 101 LEU H H 7.804 0.01 1 1015 99 101 LEU HA H 3.974 0.01 1 1016 99 101 LEU HB2 H 1.60 0.01 2 1017 99 101 LEU HB3 H 1.60 0.01 2 1018 99 101 LEU HD1 H 0.785 0.01 2 1019 99 101 LEU HD2 H 0.785 0.01 2 1020 99 101 LEU HG H 1.60 0.01 1 1021 99 101 LEU C C 176.6 0.05 1 1022 99 101 LEU CA C 55.44 0.05 1 1023 99 101 LEU CB C 38.72 0.05 1 1024 99 101 LEU CD1 C 21.50 0.05 2 1025 99 101 LEU CD2 C 21.50 0.05 2 1026 99 101 LEU CG C 24.21 0.05 1 1027 99 101 LEU N N 120.5 0.1 1 1028 100 102 LEU H H 7.517 0.01 1 1029 100 102 LEU HA H 3.954 0.01 1 1030 100 102 LEU HB2 H 1.685 0.01 2 1031 100 102 LEU HB3 H 1.476 0.01 2 1032 100 102 LEU HD1 H 0.788 0.01 2 1033 100 102 LEU HD2 H 0.788 0.01 2 1034 100 102 LEU HG H 1.476 0.01 1 1035 100 102 LEU C C 176.8 0.05 1 1036 100 102 LEU CA C 55.19 0.05 1 1037 100 102 LEU CB C 39.10 0.05 1 1038 100 102 LEU CD1 C 20.59 0.05 2 1039 100 102 LEU CD2 C 20.59 0.05 2 1040 100 102 LEU CG C 22.35 0.05 1 1041 100 102 LEU N N 118 0.1 1 1042 101 103 TYR H H 7.389 0.01 1 1043 101 103 TYR HA H 4.211 0.01 1 1044 101 103 TYR HB2 H 3.124 0.01 2 1045 101 103 TYR HB3 H 2.931 0.01 2 1046 101 103 TYR HD1 H 6.960 0.01 1 1047 101 103 TYR HD2 H 6.960 0.01 1 1048 101 103 TYR HE1 H 6.555 0.01 1 1049 101 103 TYR HE2 H 6.555 0.01 1 1050 101 103 TYR C C 175.3 0.05 1 1051 101 103 TYR CA C 58.02 0.05 1 1052 101 103 TYR CB C 35.27 0.05 1 1053 101 103 TYR N N 120 0.1 1 1054 102 104 GLN H H 8.41 0.01 1 1055 102 104 GLN HA H 3.681 0.01 1 1056 102 104 GLN HB2 H 2.191 0.01 2 1057 102 104 GLN HB3 H 2.026 0.01 2 1058 102 104 GLN HG2 H 2.549 0.01 2 1059 102 104 GLN HG3 H 2.384 0.01 2 1060 102 104 GLN C C 175.6 0.05 1 1061 102 104 GLN CA C 55.44 0.05 1 1062 102 104 GLN CB C 26.15 0.05 1 1063 102 104 GLN CG C 31.60 0.05 1 1064 102 104 GLN N N 119.2 0.1 1 1065 103 105 GLN H H 7.94 0.01 1 1066 103 105 GLN HA H 4.039 0.01 1 1067 103 105 GLN HB2 H 2.061 0.01 2 1068 103 105 GLN HB3 H 2.061 0.01 2 1069 103 105 GLN HG2 H 2.422 0.01 2 1070 103 105 GLN HG3 H 2.345 0.01 2 1071 103 105 GLN C C 174.0 0.05 1 1072 103 105 GLN CA C 54.51 0.05 1 1073 103 105 GLN CB C 26.07 0.05 1 1074 103 105 GLN CG C 31.34 0.05 1 1075 103 105 GLN N N 116.8 0.1 1 1076 104 106 GLN H H 7.422 0.01 1 1077 104 106 GLN HA H 4.175 0.01 1 1078 104 106 GLN HB2 H 2.039 0.01 2 1079 104 106 GLN HB3 H 1.91 0.01 2 1080 104 106 GLN HG2 H 2.344 0.01 2 1081 104 106 GLN HG3 H 2.344 0.01 2 1082 104 106 GLN C C 173.2 0.05 1 1083 104 106 GLN CA C 53.05 0.05 1 1084 104 106 GLN CB C 26.34 0.05 1 1085 104 106 GLN CG C 31.11 0.05 1 1086 104 106 GLN N N 117.1 0.1 1 1087 105 107 GLN H H 7.591 0.01 1 1088 105 107 GLN HA H 4.350 0.01 1 1089 105 107 GLN HB2 H 2.135 0.01 2 1090 105 107 GLN HB3 H 1.926 0.01 2 1091 105 107 GLN HG2 H 1.744 0.01 2 1092 105 107 GLN HG3 H 1.744 0.01 2 1093 105 107 GLN C C 171.0 0.05 1 1094 105 107 GLN CA C 50.77 0.05 1 1095 105 107 GLN CB C 25.4 0.05 1 1096 105 107 GLN N N 120.3 0.1 1 1097 106 108 PRO HA H 4.296 0.01 1 1098 106 108 PRO HB2 H 2.198 0.01 2 1099 106 108 PRO HB3 H 1.774 0.01 2 1100 106 108 PRO HD2 H 3.516 0.01 2 1101 106 108 PRO HD3 H 3.599 0.01 2 1102 106 108 PRO HG2 H 1.912 0.01 2 1103 106 108 PRO HG3 H 1.912 0.01 2 1104 106 108 PRO C C 174.3 0.05 1 1105 106 108 PRO CA C 60.51 0.05 1 1106 106 108 PRO CB C 29.32 0.05 1 1107 106 108 PRO CD C 47.75 0.05 1 1108 106 108 PRO CG C 24.67 0.05 1 1109 107 109 MET H H 8.382 0.01 1 1110 107 109 MET HA H 4.365 0.01 1 1111 107 109 MET HB2 H 2.497 0.01 2 1112 107 109 MET HB3 H 1.951 0.01 2 1113 107 109 MET C C 173.2 0.05 1 1114 107 109 MET CA C 52.72 0.05 1 1115 107 109 MET CB C 30.21 0.05 1 1116 107 109 MET CE C 16.81 0.05 1 1117 107 109 MET CG C 33.94 0.05 1 1118 107 109 MET N N 120.6 0.1 1 1119 108 110 ASN H H 8.35 0.01 1 1120 108 110 ASN HA H 4.637 0.01 1 1121 108 110 ASN HB2 H 2.745 0.01 2 1122 108 110 ASN HB3 H 2.639 0.01 2 1123 108 110 ASN C C 171.3 0.05 1 1124 108 110 ASN CA C 50.66 0.05 1 1125 108 110 ASN CB C 36.46 0.05 1 1126 108 110 ASN CG C 27.61 0.05 1 1127 108 110 ASN N N 120.6 0.1 1 1128 109 111 GLU H H 7.857 0.01 1 1129 109 111 GLU HA H 4.068 0.01 1 1130 109 111 GLU HB2 H 1.954 0.01 2 1131 109 111 GLU HB3 H 1.774 0.01 2 1132 109 111 GLU HG2 H 2.076 0.01 2 1133 109 111 GLU HG3 H 2.076 0.01 2 1134 109 111 GLU C C 172.4 0.05 1 1135 109 111 GLU CA C 55.31 0.05 1 1136 109 111 GLU CB C 24.83 0.05 1 1137 109 111 GLU N N 125.9 0.1 1 stop_ save_