data_6930 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignments of SNF RBD1 ; _BMRB_accession_number 6930 _BMRB_flat_file_name bmr6930.str _Entry_type new _Submission_date 2006-01-03 _Accession_date 2006-01-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Cong . . 2 Cui Gaofeng . . 3 Jin Changwen . . 4 Xia Bin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 644 "13C chemical shifts" 457 "15N chemical shifts" 106 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-10-20 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure and Novel Functional Mechanism of Drosophila SNF in Sex-Lethal Splicing' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19727396 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hu Jicheng . . 2 Cui Gaofeng . . 3 Li Congmin . . 4 Liu Cong . . 5 Shang Erchang . . 6 Lai Luhua . . 7 Jin Changwen . . 8 Wang Jiwu . . 9 Xia Bin . . stop_ _Journal_abbreviation 'PLoS One' _Journal_volume 4 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 6890 _Page_last . _Year 2009 _Details . loop_ _Keyword SNF 'RNA splicing factor' 'RNA binding protein' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'SNF RBD1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SNF RBD1' $entry stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'RNA splicing factor' 'snRNP protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entry _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'snRNP protein' _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'RNA splicing factor' 'RNA binding protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; MEMLPNQTIYINNLNEKIKK EELKKSLYAIFSQFGQILDI VALKTLKMRGQAFVIFKEIG SASNALRTMQGFPFYDKPMQ IAYSKSDSDIVAKIKGTFKE RPKK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 MET 4 LEU 5 PRO 6 ASN 7 GLN 8 THR 9 ILE 10 TYR 11 ILE 12 ASN 13 ASN 14 LEU 15 ASN 16 GLU 17 LYS 18 ILE 19 LYS 20 LYS 21 GLU 22 GLU 23 LEU 24 LYS 25 LYS 26 SER 27 LEU 28 TYR 29 ALA 30 ILE 31 PHE 32 SER 33 GLN 34 PHE 35 GLY 36 GLN 37 ILE 38 LEU 39 ASP 40 ILE 41 VAL 42 ALA 43 LEU 44 LYS 45 THR 46 LEU 47 LYS 48 MET 49 ARG 50 GLY 51 GLN 52 ALA 53 PHE 54 VAL 55 ILE 56 PHE 57 LYS 58 GLU 59 ILE 60 GLY 61 SER 62 ALA 63 SER 64 ASN 65 ALA 66 LEU 67 ARG 68 THR 69 MET 70 GLN 71 GLY 72 PHE 73 PRO 74 PHE 75 TYR 76 ASP 77 LYS 78 PRO 79 MET 80 GLN 81 ILE 82 ALA 83 TYR 84 SER 85 LYS 86 SER 87 ASP 88 SER 89 ASP 90 ILE 91 VAL 92 ALA 93 LYS 94 ILE 95 LYS 96 GLY 97 THR 98 PHE 99 LYS 100 GLU 101 ARG 102 PRO 103 LYS 104 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2K3K "Solution Structure Of Drosophila Melanogaster Snf Rbd1" 100.00 104 100.00 100.00 1.59e-67 GB AAA28441 "small nuclear ribonucleoprotein [Drosophila melanogaster]" 100.00 216 100.00 100.00 1.32e-66 GB AAA28903 "nuclear protein [Drosophila melanogaster]" 100.00 216 100.00 100.00 1.32e-66 GB AAF46017 "sans fille [Drosophila melanogaster]" 100.00 216 100.00 100.00 1.32e-66 GB AAL29039 "LD45302p [Drosophila melanogaster]" 100.00 216 100.00 100.00 1.32e-66 GB ACL84772 "snf-PA, partial [synthetic construct]" 100.00 216 100.00 100.00 1.32e-66 REF NP_511045 "sans fille [Drosophila melanogaster]" 100.00 216 100.00 100.00 1.32e-66 REF XP_002036935 "GM12396 [Drosophila sechellia]" 100.00 216 99.04 99.04 1.44e-65 REF XP_002076873 "GD24751 [Drosophila simulans]" 54.81 169 100.00 100.00 1.46e-31 SP P43332 "RecName: Full=U1 small nuclear ribonucleoprotein A; Short=U1 snRNP A; Short=U1-A; Short=U1A; AltName: Full=Sex determination pr" 100.00 216 100.00 100.00 1.32e-66 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entry 'fruit fly' 7227 Eukaryota Metazoa Drosophila melanogaster 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 $entry 'recombinant technology' 'Escherichia coli' . . . . 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 $entry 0.4 mM 0.375 0.425 '[U-15N; U-13C]' PBS 50 mM . . . NaCl 50 mM . . . H2O 90 % . . . D2Ol 10 % . . . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRView _Version 5 _Details 'Data analysis' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label . save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_3D_HCCH-COSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label . save_ save_3D_(H)CCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-COSY' _Sample_label . save_ save_3D_(H)CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label . save_ save_3D_15N-separated_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'SNF RBD1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLU HA H 4.372 0.03 1 2 2 2 GLU HB2 H 2.050 0.03 2 3 2 2 GLU HB3 H 1.940 0.03 2 4 2 2 GLU HG2 H 2.265 0.03 1 5 2 2 GLU HG3 H 2.265 0.03 1 6 2 2 GLU C C 175.830 0.3 1 7 2 2 GLU CA C 56.340 0.3 1 8 2 2 GLU CB C 30.550 0.3 1 9 2 2 GLU CG C 36.240 0.3 1 10 3 3 MET H H 8.529 0.03 1 11 3 3 MET HA H 4.534 0.03 1 12 3 3 MET HB2 H 2.090 0.03 2 13 3 3 MET HB3 H 2.100 0.03 2 14 3 3 MET HG2 H 2.660 0.03 2 15 3 3 MET HG3 H 2.597 0.03 2 16 3 3 MET HE H 1.000 0.03 1 17 3 3 MET C C 175.350 0.3 1 18 3 3 MET CA C 54.950 0.3 1 19 3 3 MET CB C 33.150 0.3 1 20 3 3 MET CG C 32.050 0.3 1 21 3 3 MET CE C 16.250 0.3 1 22 3 3 MET N N 122.340 0.3 1 23 4 4 LEU H H 8.265 0.03 1 24 4 4 LEU HA H 4.579 0.03 1 25 4 4 LEU HB2 H 1.483 0.03 2 26 4 4 LEU HB3 H 1.557 0.03 2 27 4 4 LEU HG H 1.625 0.03 1 28 4 4 LEU HD1 H 0.918 0.03 2 29 4 4 LEU HD2 H 0.880 0.03 2 30 4 4 LEU CA C 52.620 0.3 1 31 4 4 LEU CB C 41.780 0.3 1 32 4 4 LEU CG C 26.950 0.3 1 33 4 4 LEU CD1 C 25.130 0.3 1 34 4 4 LEU CD2 C 23.450 0.3 1 35 4 4 LEU N N 125.280 0.3 1 36 5 5 PRO HA H 4.268 0.03 1 37 5 5 PRO HB2 H 1.785 0.03 2 38 5 5 PRO HB3 H 1.509 0.03 2 39 5 5 PRO HG2 H 1.924 0.03 2 40 5 5 PRO HG3 H 1.764 0.03 2 41 5 5 PRO HD2 H 3.820 0.03 2 42 5 5 PRO HD3 H 3.482 0.03 2 43 5 5 PRO C C 175.390 0.3 1 44 5 5 PRO CA C 62.620 0.3 1 45 5 5 PRO CB C 32.300 0.3 1 46 5 5 PRO CG C 27.630 0.3 1 47 5 5 PRO CD C 50.500 0.3 1 48 6 6 ASN H H 6.913 0.03 1 49 6 6 ASN HA H 4.460 0.03 1 50 6 6 ASN HB2 H 2.791 0.03 1 51 6 6 ASN HB3 H 2.791 0.03 1 52 6 6 ASN HD21 H 7.550 0.03 2 53 6 6 ASN HD22 H 7.267 0.03 2 54 6 6 ASN C C 172.390 0.3 1 55 6 6 ASN CA C 52.920 0.3 1 56 6 6 ASN CB C 41.920 0.3 1 57 6 6 ASN N N 117.610 0.3 1 58 6 6 ASN ND2 N 114.720 0.3 1 59 7 7 GLN H H 8.465 0.03 1 60 7 7 GLN HA H 4.164 0.03 1 61 7 7 GLN HB2 H 2.080 0.03 2 62 7 7 GLN HB3 H 2.018 0.03 2 63 7 7 GLN HG2 H 2.226 0.03 2 64 7 7 GLN HG3 H 2.364 0.03 2 65 7 7 GLN HE21 H 7.971 0.03 2 66 7 7 GLN HE22 H 6.931 0.03 2 67 7 7 GLN C C 175.020 0.3 1 68 7 7 GLN CA C 58.100 0.3 1 69 7 7 GLN CB C 29.270 0.3 1 70 7 7 GLN CG C 35.750 0.3 1 71 7 7 GLN N N 116.430 0.3 1 72 7 7 GLN NE2 N 111.160 0.3 1 73 8 8 THR H H 8.374 0.03 1 74 8 8 THR HA H 5.399 0.03 1 75 8 8 THR HB H 4.028 0.03 1 76 8 8 THR HG2 H 1.083 0.03 1 77 8 8 THR C C 173.700 0.3 1 78 8 8 THR CA C 62.380 0.3 1 79 8 8 THR CB C 69.100 0.3 1 80 8 8 THR CG2 C 23.050 0.3 1 81 8 8 THR N N 118.220 0.3 1 82 9 9 ILE H H 8.794 0.03 1 83 9 9 ILE HA H 5.085 0.03 1 84 9 9 ILE HB H 1.635 0.03 1 85 9 9 ILE HG12 H 1.411 0.03 1 86 9 9 ILE HG13 H 1.250 0.03 1 87 9 9 ILE HG2 H 0.835 0.03 1 88 9 9 ILE HD1 H 0.352 0.03 1 89 9 9 ILE C C 173.490 0.3 1 90 9 9 ILE CA C 59.000 0.3 1 91 9 9 ILE CB C 39.710 0.3 1 92 9 9 ILE CG1 C 26.210 0.3 1 93 9 9 ILE CG2 C 18.480 0.3 1 94 9 9 ILE CD1 C 13.850 0.3 1 95 9 9 ILE N N 118.250 0.3 1 96 10 10 TYR H H 9.384 0.03 1 97 10 10 TYR HA H 5.032 0.03 1 98 10 10 TYR HB2 H 2.685 0.03 1 99 10 10 TYR HB3 H 2.685 0.03 1 100 10 10 TYR HD1 H 6.560 0.03 1 101 10 10 TYR HD2 H 6.560 0.03 1 102 10 10 TYR HE1 H 6.560 0.03 1 103 10 10 TYR HE2 H 6.560 0.03 1 104 10 10 TYR C C 173.920 0.3 1 105 10 10 TYR CA C 55.240 0.3 1 106 10 10 TYR CB C 40.700 0.3 1 107 10 10 TYR CD1 C 133.050 0.3 1 108 10 10 TYR CD2 C 133.050 0.3 1 109 10 10 TYR CE1 C 117.530 0.3 1 110 10 10 TYR CE2 C 117.530 0.3 1 111 10 10 TYR N N 124.310 0.3 1 112 11 11 ILE H H 9.000 0.03 1 113 11 11 ILE HA H 4.629 0.03 1 114 11 11 ILE HB H 1.473 0.03 1 115 11 11 ILE HG12 H 1.265 0.03 1 116 11 11 ILE HG13 H 0.828 0.03 1 117 11 11 ILE HG2 H 0.897 0.03 1 118 11 11 ILE HD1 H 0.498 0.03 1 119 11 11 ILE C C 180.280 0.3 1 120 11 11 ILE CA C 60.050 0.3 1 121 11 11 ILE CB C 40.350 0.3 1 122 11 11 ILE CG1 C 28.100 0.3 1 123 11 11 ILE CG2 C 19.480 0.3 1 124 11 11 ILE CD1 C 15.760 0.3 1 125 11 11 ILE N N 126.640 0.3 1 126 12 12 ASN H H 8.844 0.03 1 127 12 12 ASN HA H 5.267 0.03 1 128 12 12 ASN HB2 H 2.756 0.03 2 129 12 12 ASN HB3 H 2.653 0.03 2 130 12 12 ASN HD21 H 7.358 0.03 2 131 12 12 ASN HD22 H 6.662 0.03 2 132 12 12 ASN C C 174.640 0.3 1 133 12 12 ASN CA C 50.860 0.3 1 134 12 12 ASN CB C 41.400 0.3 1 135 12 12 ASN N N 123.520 0.3 1 136 12 12 ASN ND2 N 111.060 0.3 1 137 13 13 ASN H H 8.689 0.03 1 138 13 13 ASN HA H 4.456 0.03 1 139 13 13 ASN HB2 H 2.379 0.03 2 140 13 13 ASN HB3 H 3.671 0.03 2 141 13 13 ASN HD21 H 8.214 0.03 2 142 13 13 ASN HD22 H 7.235 0.03 2 143 13 13 ASN C C 176.140 0.3 1 144 13 13 ASN CA C 53.920 0.3 1 145 13 13 ASN CB C 39.360 0.3 1 146 13 13 ASN N N 115.910 0.3 1 147 13 13 ASN ND2 N 111.930 0.3 1 148 14 14 LEU H H 8.221 0.03 1 149 14 14 LEU HA H 4.350 0.03 1 150 14 14 LEU HB2 H 1.177 0.03 2 151 14 14 LEU HB3 H 1.340 0.03 2 152 14 14 LEU HG H 1.035 0.03 1 153 14 14 LEU HD1 H 0.654 0.03 2 154 14 14 LEU HD2 H 0.654 0.03 2 155 14 14 LEU C C 177.880 0.3 1 156 14 14 LEU CA C 54.000 0.3 1 157 14 14 LEU CB C 42.830 0.3 1 158 14 14 LEU CG C 23.760 0.3 1 159 14 14 LEU CD1 C 27.380 0.3 1 160 14 14 LEU CD2 C 27.380 0.3 1 161 14 14 LEU N N 116.310 0.3 1 162 15 15 ASN H H 9.226 0.03 1 163 15 15 ASN HA H 4.225 0.03 1 164 15 15 ASN HB2 H 2.831 0.03 2 165 15 15 ASN HB3 H 2.695 0.03 2 166 15 15 ASN HD21 H 8.137 0.03 2 167 15 15 ASN HD22 H 7.179 0.03 2 168 15 15 ASN C C 176.150 0.3 1 169 15 15 ASN CA C 54.210 0.3 1 170 15 15 ASN CB C 38.050 0.3 1 171 15 15 ASN N N 120.300 0.3 1 172 15 15 ASN ND2 N 112.700 0.3 1 173 16 16 GLU H H 9.234 0.03 1 174 16 16 GLU HA H 4.110 0.03 1 175 16 16 GLU HB2 H 2.136 0.03 2 176 16 16 GLU HB3 H 1.992 0.03 2 177 16 16 GLU HG2 H 2.176 0.03 2 178 16 16 GLU HG3 H 2.424 0.03 2 179 16 16 GLU C C 176.510 0.3 1 180 16 16 GLU CA C 57.800 0.3 1 181 16 16 GLU CB C 29.300 0.3 1 182 16 16 GLU CG C 36.370 0.3 1 183 16 16 GLU N N 128.160 0.3 1 184 17 17 LYS H H 8.421 0.03 1 185 17 17 LYS HA H 4.170 0.03 1 186 17 17 LYS HB2 H 1.843 0.03 2 187 17 17 LYS HB3 H 1.907 0.03 2 188 17 17 LYS HG2 H 1.381 0.03 2 189 17 17 LYS HG3 H 1.460 0.03 2 190 17 17 LYS HD2 H 1.688 0.03 2 191 17 17 LYS HD3 H 1.710 0.03 2 192 17 17 LYS HE2 H 3.000 0.03 1 193 17 17 LYS HE3 H 3.000 0.03 1 194 17 17 LYS C C 176.700 0.3 1 195 17 17 LYS CA C 56.750 0.3 1 196 17 17 LYS CB C 32.370 0.3 1 197 17 17 LYS CG C 25.460 0.3 1 198 17 17 LYS CD C 29.250 0.3 1 199 17 17 LYS CE C 42.120 0.3 1 200 17 17 LYS N N 118.450 0.3 1 201 18 18 ILE H H 6.751 0.03 1 202 18 18 ILE HA H 3.830 0.03 1 203 18 18 ILE HB H 1.550 0.03 1 204 18 18 ILE HG12 H 0.859 0.03 1 205 18 18 ILE HG13 H 0.833 0.03 1 206 18 18 ILE HG2 H 0.488 0.03 1 207 18 18 ILE HD1 H 0.245 0.03 1 208 18 18 ILE C C 176.560 0.3 1 209 18 18 ILE CA C 58.640 0.3 1 210 18 18 ILE CB C 35.940 0.3 1 211 18 18 ILE CG1 C 25.750 0.3 1 212 18 18 ILE CG2 C 16.480 0.3 1 213 18 18 ILE CD1 C 9.710 0.3 1 214 18 18 ILE N N 118.790 0.3 1 215 19 19 LYS H H 8.815 0.03 1 216 19 19 LYS HA H 4.189 0.03 1 217 19 19 LYS HB2 H 1.851 0.03 2 218 19 19 LYS HB3 H 2.050 0.03 2 219 19 19 LYS HG2 H 1.608 0.03 2 220 19 19 LYS HG3 H 1.695 0.03 2 221 19 19 LYS HD2 H 1.790 0.03 1 222 19 19 LYS HD3 H 1.790 0.03 1 223 19 19 LYS HE2 H 3.076 0.03 1 224 19 19 LYS HE3 H 3.076 0.03 1 225 19 19 LYS C C 178.340 0.3 1 226 19 19 LYS CA C 57.250 0.3 1 227 19 19 LYS CB C 32.800 0.3 1 228 19 19 LYS CG C 25.500 0.3 1 229 19 19 LYS CD C 29.370 0.3 1 230 19 19 LYS CE C 42.080 0.3 1 231 19 19 LYS N N 129.030 0.3 1 232 20 20 LYS H H 9.032 0.03 1 233 20 20 LYS HA H 3.854 0.03 1 234 20 20 LYS HB2 H 1.857 0.03 2 235 20 20 LYS HB3 H 1.998 0.03 2 236 20 20 LYS HG2 H 1.475 0.03 2 237 20 20 LYS HG3 H 1.540 0.03 2 238 20 20 LYS HD2 H 1.735 0.03 2 239 20 20 LYS HD3 H 1.710 0.03 2 240 20 20 LYS HE2 H 3.010 0.03 1 241 20 20 LYS HE3 H 3.010 0.03 1 242 20 20 LYS C C 178.390 0.3 1 243 20 20 LYS CA C 59.740 0.3 1 244 20 20 LYS CB C 31.390 0.3 1 245 20 20 LYS CG C 24.760 0.3 1 246 20 20 LYS CD C 29.110 0.3 1 247 20 20 LYS CE C 42.300 0.3 1 248 20 20 LYS N N 123.440 0.3 1 249 21 21 GLU H H 9.341 0.03 1 250 21 21 GLU HA H 4.074 0.03 1 251 21 21 GLU HB2 H 2.090 0.03 2 252 21 21 GLU HB3 H 2.044 0.03 2 253 21 21 GLU HG2 H 2.457 0.03 2 254 21 21 GLU HG3 H 2.396 0.03 2 255 21 21 GLU C C 179.120 0.3 1 256 21 21 GLU CA C 60.270 0.3 1 257 21 21 GLU CB C 28.840 0.3 1 258 21 21 GLU CG C 36.760 0.3 1 259 21 21 GLU N N 117.890 0.3 1 260 22 22 GLU H H 6.994 0.03 1 261 22 22 GLU HA H 4.166 0.03 1 262 22 22 GLU HB2 H 2.022 0.03 2 263 22 22 GLU HB3 H 2.097 0.03 2 264 22 22 GLU HG2 H 2.235 0.03 2 265 22 22 GLU HG3 H 2.351 0.03 2 266 22 22 GLU C C 178.200 0.3 1 267 22 22 GLU CA C 58.530 0.3 1 268 22 22 GLU CB C 29.180 0.3 1 269 22 22 GLU CG C 35.790 0.3 1 270 22 22 GLU N N 119.810 0.3 1 271 23 23 LEU H H 8.462 0.03 1 272 23 23 LEU HA H 3.981 0.03 1 273 23 23 LEU HB2 H 1.518 0.03 2 274 23 23 LEU HB3 H 1.805 0.03 2 275 23 23 LEU HG H 1.580 0.03 1 276 23 23 LEU HD1 H 0.873 0.03 2 277 23 23 LEU HD2 H 0.973 0.03 2 278 23 23 LEU C C 178.780 0.3 1 279 23 23 LEU CA C 58.840 0.3 1 280 23 23 LEU CB C 42.420 0.3 1 281 23 23 LEU CG C 26.870 0.3 1 282 23 23 LEU CD1 C 25.440 0.3 1 283 23 23 LEU CD2 C 24.460 0.3 1 284 23 23 LEU N N 121.220 0.3 1 285 24 24 LYS H H 8.411 0.03 1 286 24 24 LYS HA H 3.808 0.03 1 287 24 24 LYS HB2 H 1.909 0.03 2 288 24 24 LYS HB3 H 1.970 0.03 2 289 24 24 LYS HG2 H 1.305 0.03 2 290 24 24 LYS HG3 H 1.634 0.03 2 291 24 24 LYS HD2 H 1.812 0.03 2 292 24 24 LYS HD3 H 1.805 0.03 2 293 24 24 LYS HE2 H 3.016 0.03 1 294 24 24 LYS HE3 H 3.016 0.03 1 295 24 24 LYS C C 178.200 0.3 1 296 24 24 LYS CA C 61.500 0.3 1 297 24 24 LYS CB C 32.500 0.3 1 298 24 24 LYS CG C 26.420 0.3 1 299 24 24 LYS CD C 29.980 0.3 1 300 24 24 LYS CE C 42.030 0.3 1 301 24 24 LYS N N 116.620 0.3 1 302 25 25 LYS H H 7.592 0.03 1 303 25 25 LYS HA H 4.181 0.03 1 304 25 25 LYS HB2 H 2.052 0.03 2 305 25 25 LYS HB3 H 2.070 0.03 2 306 25 25 LYS HG2 H 1.543 0.03 2 307 25 25 LYS HG3 H 1.697 0.03 2 308 25 25 LYS HD2 H 1.745 0.03 2 309 25 25 LYS HD3 H 1.700 0.03 2 310 25 25 LYS HE2 H 2.999 0.03 2 311 25 25 LYS HE3 H 3.005 0.03 2 312 25 25 LYS C C 180.280 0.3 1 313 25 25 LYS CA C 60.140 0.3 1 314 25 25 LYS CB C 32.690 0.3 1 315 25 25 LYS CG C 25.370 0.3 1 316 25 25 LYS CD C 29.600 0.3 1 317 25 25 LYS CE C 42.050 0.3 1 318 25 25 LYS N N 118.830 0.3 1 319 26 26 SER H H 8.845 0.03 1 320 26 26 SER HA H 4.570 0.03 1 321 26 26 SER HB2 H 4.369 0.03 1 322 26 26 SER HB3 H 4.369 0.03 1 323 26 26 SER C C 176.880 0.3 1 324 26 26 SER CA C 62.210 0.3 1 325 26 26 SER CB C 63.320 0.3 1 326 26 26 SER N N 117.880 0.3 1 327 27 27 LEU H H 9.040 0.03 1 328 27 27 LEU HA H 4.190 0.03 1 329 27 27 LEU HB2 H 1.167 0.03 2 330 27 27 LEU HB3 H 2.298 0.03 2 331 27 27 LEU HG H 2.097 0.03 1 332 27 27 LEU HD1 H 0.574 0.03 2 333 27 27 LEU HD2 H 0.594 0.03 2 334 27 27 LEU C C 179.100 0.3 1 335 27 27 LEU CA C 57.960 0.3 1 336 27 27 LEU CB C 43.030 0.3 1 337 27 27 LEU CG C 26.600 0.3 1 338 27 27 LEU CD1 C 26.430 0.3 1 339 27 27 LEU CD2 C 24.480 0.3 1 340 27 27 LEU N N 122.840 0.3 1 341 28 28 TYR H H 8.535 0.03 1 342 28 28 TYR HA H 3.826 0.03 1 343 28 28 TYR HB2 H 3.169 0.03 2 344 28 28 TYR HB3 H 3.235 0.03 2 345 28 28 TYR HD1 H 7.074 0.03 3 346 28 28 TYR HE1 H 6.827 0.03 3 347 28 28 TYR C C 178.360 0.3 1 348 28 28 TYR CA C 63.220 0.3 1 349 28 28 TYR CB C 38.320 0.3 1 350 28 28 TYR CD1 C 133.230 0.3 3 351 28 28 TYR CE1 C 117.530 0.3 3 352 28 28 TYR N N 121.030 0.3 1 353 29 29 ALA H H 8.009 0.03 1 354 29 29 ALA HA H 3.364 0.03 1 355 29 29 ALA HB H 1.683 0.03 1 356 29 29 ALA CA C 55.420 0.3 1 357 29 29 ALA CB C 18.920 0.3 1 358 29 29 ALA N N 120.570 0.3 1 359 30 30 ILE HA H 4.048 0.03 1 360 30 30 ILE HB H 1.539 0.03 1 361 30 30 ILE HG12 H 1.344 0.03 1 362 30 30 ILE HG13 H 1.117 0.03 1 363 30 30 ILE HG2 H 0.354 0.03 1 364 30 30 ILE HD1 H 0.514 0.03 1 365 30 30 ILE C C 177.270 0.3 1 366 30 30 ILE CA C 63.380 0.3 1 367 30 30 ILE CB C 38.850 0.3 1 368 30 30 ILE CG1 C 27.890 0.3 1 369 30 30 ILE CG2 C 17.370 0.3 1 370 30 30 ILE CD1 C 14.180 0.3 1 371 31 31 PHE H H 8.446 0.03 1 372 31 31 PHE HA H 4.900 0.03 1 373 31 31 PHE HB2 H 3.439 0.03 2 374 31 31 PHE HB3 H 2.897 0.03 2 375 31 31 PHE HD1 H 7.565 0.03 3 376 31 31 PHE HE1 H 6.827 0.03 3 377 31 31 PHE C C 177.820 0.3 1 378 31 31 PHE CA C 62.380 0.3 1 379 31 31 PHE CB C 38.900 0.3 1 380 31 31 PHE N N 115.770 0.3 1 381 32 32 SER H H 8.392 0.03 1 382 32 32 SER HA H 4.365 0.03 1 383 32 32 SER HB2 H 3.560 0.03 2 384 32 32 SER HB3 H 3.868 0.03 2 385 32 32 SER C C 176.140 0.3 1 386 32 32 SER CA C 61.680 0.3 1 387 32 32 SER CB C 62.460 0.3 1 388 32 32 SER N N 116.890 0.3 1 389 33 33 GLN H H 7.310 0.03 1 390 33 33 GLN HA H 4.059 0.03 1 391 33 33 GLN HB2 H 1.589 0.03 2 392 33 33 GLN HB3 H 1.617 0.03 2 393 33 33 GLN HG2 H 1.791 0.03 2 394 33 33 GLN HG3 H 1.786 0.03 2 395 33 33 GLN HE21 H 7.131 0.03 2 396 33 33 GLN HE22 H 7.484 0.03 2 397 33 33 GLN C C 176.330 0.3 1 398 33 33 GLN CA C 57.220 0.3 1 399 33 33 GLN CB C 28.040 0.3 1 400 33 33 GLN CG C 32.460 0.3 1 401 33 33 GLN N N 117.530 0.3 1 402 33 33 GLN NE2 N 113.760 0.3 1 403 34 34 PHE H H 7.626 0.03 1 404 34 34 PHE HA H 4.435 0.03 1 405 34 34 PHE HB2 H 2.949 0.03 2 406 34 34 PHE HB3 H 3.400 0.03 2 407 34 34 PHE HD1 H 7.624 0.03 3 408 34 34 PHE HE1 H 7.119 0.03 3 409 34 34 PHE C C 175.590 0.3 1 410 34 34 PHE CA C 59.410 0.3 1 411 34 34 PHE CB C 39.380 0.3 1 412 34 34 PHE CD1 C 132.960 0.3 3 413 34 34 PHE CE1 C 131.10 0.3 3 414 34 34 PHE N N 116.090 0.3 1 415 35 35 GLY H H 7.595 0.03 1 416 35 35 GLY HA2 H 3.960 0.03 2 417 35 35 GLY HA3 H 4.612 0.03 2 418 35 35 GLY C C 170.890 0.3 1 419 35 35 GLY CA C 44.160 0.3 1 420 35 35 GLY N N 107.470 0.3 1 421 36 36 GLN H H 8.404 0.03 1 422 36 36 GLN HA H 4.275 0.03 1 423 36 36 GLN HB2 H 2.134 0.03 2 424 36 36 GLN HB3 H 1.970 0.03 2 425 36 36 GLN HG2 H 2.522 0.03 2 426 36 36 GLN HG3 H 2.237 0.03 2 427 36 36 GLN HE21 H 7.664 0.03 2 428 36 36 GLN HE22 H 6.996 0.03 2 429 36 36 GLN C C 176.650 0.3 1 430 36 36 GLN CA C 57.180 0.3 1 431 36 36 GLN CB C 29.360 0.3 1 432 36 36 GLN CG C 33.670 0.3 1 433 36 36 GLN N N 116.620 0.3 1 434 36 36 GLN NE2 N 111.960 0.3 1 435 37 37 ILE H H 9.009 0.03 1 436 37 37 ILE HA H 4.068 0.03 1 437 37 37 ILE HB H 1.673 0.03 1 438 37 37 ILE HG12 H 1.765 0.03 1 439 37 37 ILE HG13 H 0.044 0.03 1 440 37 37 ILE HG2 H 0.551 0.03 1 441 37 37 ILE HD1 H 0.420 0.03 1 442 37 37 ILE C C 176.530 0.3 1 443 37 37 ILE CA C 61.270 0.3 1 444 37 37 ILE CB C 40.600 0.3 1 445 37 37 ILE CG1 C 28.720 0.3 1 446 37 37 ILE CG2 C 17.610 0.3 1 447 37 37 ILE CD1 C 13.910 0.3 1 448 37 37 ILE N N 129.370 0.3 1 449 38 38 LEU H H 9.472 0.03 1 450 38 38 LEU HA H 4.291 0.03 1 451 38 38 LEU HB2 H 1.352 0.03 2 452 38 38 LEU HB3 H 1.426 0.03 2 453 38 38 LEU HG H 1.329 0.03 1 454 38 38 LEU HD1 H 0.797 0.03 2 455 38 38 LEU HD2 H 0.733 0.03 2 456 38 38 LEU C C 176.900 0.3 1 457 38 38 LEU CA C 56.520 0.3 1 458 38 38 LEU CB C 42.030 0.3 1 459 38 38 LEU CG C 26.830 0.3 1 460 38 38 LEU CD1 C 25.420 0.3 1 461 38 38 LEU CD2 C 22.440 0.3 1 462 38 38 LEU N N 128.180 0.3 1 463 39 39 ASP H H 7.493 0.03 1 464 39 39 ASP HA H 4.715 0.03 1 465 39 39 ASP HB2 H 2.223 0.03 2 466 39 39 ASP HB3 H 2.725 0.03 2 467 39 39 ASP C C 173.560 0.3 1 468 39 39 ASP CA C 53.510 0.3 1 469 39 39 ASP CB C 44.160 0.3 1 470 39 39 ASP N N 114.640 0.3 1 471 40 40 ILE H H 8.537 0.03 1 472 40 40 ILE HA H 4.722 0.03 1 473 40 40 ILE HB H 1.593 0.03 1 474 40 40 ILE HG12 H 1.571 0.03 1 475 40 40 ILE HG13 H 1.553 0.03 1 476 40 40 ILE HG2 H 0.726 0.03 1 477 40 40 ILE HD1 H 0.717 0.03 1 478 40 40 ILE C C 174.090 0.3 1 479 40 40 ILE CA C 61.060 0.3 1 480 40 40 ILE CB C 41.220 0.3 1 481 40 40 ILE CG1 C 28.300 0.3 1 482 40 40 ILE CG2 C 16.530 0.3 1 483 40 40 ILE CD1 C 13.870 0.3 1 484 40 40 ILE N N 119.670 0.3 1 485 41 41 VAL H H 8.807 0.03 1 486 41 41 VAL HA H 4.195 0.03 1 487 41 41 VAL HB H 1.588 0.03 1 488 41 41 VAL HG1 H 0.732 0.03 2 489 41 41 VAL HG2 H 0.847 0.03 2 490 41 41 VAL C C 174.470 0.3 1 491 41 41 VAL CA C 61.020 0.3 1 492 41 41 VAL CB C 34.160 0.3 1 493 41 41 VAL CG1 C 20.400 0.3 1 494 41 41 VAL CG2 C 20.930 0.3 1 495 41 41 VAL N N 127.000 0.3 1 496 42 42 ALA H H 8.708 0.03 1 497 42 42 ALA HA H 4.796 0.03 1 498 42 42 ALA HB H 1.239 0.03 1 499 42 42 ALA C C 175.210 0.3 1 500 42 42 ALA CA C 51.430 0.3 1 501 42 42 ALA CB C 19.780 0.3 1 502 42 42 ALA N N 130.100 0.3 1 503 43 43 LEU H H 8.224 0.03 1 504 43 43 LEU HA H 4.575 0.03 1 505 43 43 LEU HB2 H 1.622 0.03 2 506 43 43 LEU HB3 H 1.696 0.03 2 507 43 43 LEU HG H 1.618 0.03 1 508 43 43 LEU HD1 H 0.905 0.03 2 509 43 43 LEU HD2 H 0.919 0.03 2 510 43 43 LEU CA C 54.620 0.3 1 511 43 43 LEU CB C 43.640 0.3 1 512 43 43 LEU CG C 27.180 0.3 1 513 43 43 LEU CD1 C 25.500 0.3 1 514 43 43 LEU CD2 C 23.500 0.3 1 515 43 43 LEU N N 122.270 0.3 1 516 44 44 LYS HA H 4.570 0.03 1 517 44 44 LYS HB2 H 1.705 0.03 2 518 44 44 LYS HB3 H 1.986 0.03 2 519 44 44 LYS HG2 H 1.479 0.03 2 520 44 44 LYS HG3 H 1.443 0.03 2 521 44 44 LYS HD2 H 1.749 0.03 1 522 44 44 LYS HD3 H 1.749 0.03 1 523 44 44 LYS HE2 H 2.975 0.03 1 524 44 44 LYS HE3 H 2.975 0.03 1 525 44 44 LYS CA C 56.000 0.3 1 526 44 44 LYS CB C 32.940 0.3 1 527 44 44 LYS CG C 25.220 0.3 1 528 44 44 LYS CD C 29.550 0.3 1 529 44 44 LYS CE C 42.070 0.3 1 530 45 45 THR H H 7.706 0.03 1 531 45 45 THR HA H 4.494 0.03 1 532 45 45 THR HB H 4.422 0.03 1 533 45 45 THR HG2 H 1.222 0.03 1 534 45 45 THR CA C 60.500 0.3 1 535 45 45 THR CB C 70.450 0.3 1 536 45 45 THR CG2 C 22.130 0.3 1 537 45 45 THR N N 113.650 0.3 1 538 46 46 LEU HA H 4.142 0.03 1 539 46 46 LEU HB2 H 1.661 0.03 2 540 46 46 LEU HB3 H 1.760 0.03 2 541 46 46 LEU HG H 1.675 0.03 1 542 46 46 LEU HD1 H 0.964 0.03 2 543 46 46 LEU HD2 H 0.922 0.03 2 544 46 46 LEU C C 179.030 0.3 1 545 46 46 LEU CA C 57.630 0.3 1 546 46 46 LEU CB C 42.020 0.3 1 547 46 46 LEU CG C 27.100 0.3 1 548 46 46 LEU CD1 C 24.400 0.3 1 549 46 46 LEU CD2 C 24.100 0.3 1 550 47 47 LYS H H 8.325 0.03 1 551 47 47 LYS HA H 4.139 0.03 1 552 47 47 LYS HB2 H 1.910 0.03 2 553 47 47 LYS HB3 H 1.837 0.03 2 554 47 47 LYS HG2 H 1.547 0.03 2 555 47 47 LYS HG3 H 1.372 0.03 2 556 47 47 LYS HD2 H 1.585 0.03 1 557 47 47 LYS HD3 H 1.585 0.03 1 558 47 47 LYS HE2 H 2.789 0.03 1 559 47 47 LYS HE3 H 2.789 0.03 1 560 47 47 LYS C C 176.700 0.3 1 561 47 47 LYS CA C 57.800 0.3 1 562 47 47 LYS CB C 32.440 0.3 1 563 47 47 LYS CG C 25.300 0.3 1 564 47 47 LYS CD C 29.260 0.3 1 565 47 47 LYS CE C 42.060 0.3 1 566 47 47 LYS N N 116.870 0.3 1 567 48 48 MET H H 7.649 0.03 1 568 48 48 MET HA H 4.581 0.03 1 569 48 48 MET HB2 H 1.970 0.03 1 570 48 48 MET HB3 H 1.970 0.03 1 571 48 48 MET HG2 H 2.584 0.03 2 572 48 48 MET HG3 H 2.496 0.03 2 573 48 48 MET HE H 2.080 0.03 1 574 48 48 MET C C 175.550 0.3 1 575 48 48 MET CA C 54.970 0.3 1 576 48 48 MET CB C 32.770 0.3 1 577 48 48 MET CG C 32.910 0.3 1 578 48 48 MET CE C 17.220 0.3 1 579 48 48 MET N N 116.090 0.3 1 580 49 49 ARG H H 7.653 0.03 1 581 49 49 ARG HA H 4.377 0.03 1 582 49 49 ARG HB2 H 1.908 0.03 1 583 49 49 ARG HB3 H 1.908 0.03 1 584 49 49 ARG HG2 H 1.700 0.03 2 585 49 49 ARG HG3 H 1.750 0.03 2 586 49 49 ARG HD2 H 3.226 0.03 1 587 49 49 ARG HD3 H 3.226 0.03 1 588 49 49 ARG C C 177.450 0.3 1 589 49 49 ARG CA C 57.250 0.3 1 590 49 49 ARG CB C 30.400 0.3 1 591 49 49 ARG CG C 27.200 0.3 1 592 49 49 ARG CD C 43.610 0.3 1 593 49 49 ARG N N 119.580 0.3 1 594 50 50 GLY H H 9.177 0.03 1 595 50 50 GLY HA2 H 3.960 0.03 2 596 50 50 GLY HA3 H 4.107 0.03 2 597 50 50 GLY C C 172.960 0.3 1 598 50 50 GLY CA C 46.140 0.3 1 599 50 50 GLY N N 111.640 0.3 1 600 51 51 GLN H H 7.853 0.03 1 601 51 51 GLN HA H 5.516 0.03 1 602 51 51 GLN HB2 H 2.326 0.03 1 603 51 51 GLN HB3 H 2.326 0.03 1 604 51 51 GLN HG3 H 2.326 0.03 2 605 51 51 GLN HE21 H 7.628 0.03 2 606 51 51 GLN HE22 H 6.803 0.03 2 607 51 51 GLN C C 174.800 0.3 1 608 51 51 GLN CA C 54.160 0.3 1 609 51 51 GLN CB C 34.330 0.3 1 610 51 51 GLN CG C 34.330 0.3 1 611 51 51 GLN N N 117.000 0.3 1 612 51 51 GLN NE2 N 111.930 0.3 1 613 52 52 ALA H H 8.765 0.03 1 614 52 52 ALA HA H 5.098 0.03 1 615 52 52 ALA HB H 1.064 0.03 1 616 52 52 ALA C C 174.820 0.3 1 617 52 52 ALA CA C 51.170 0.3 1 618 52 52 ALA CB C 23.350 0.3 1 619 52 52 ALA N N 121.050 0.3 1 620 53 53 PHE H H 8.840 0.03 1 621 53 53 PHE HA H 5.615 0.03 1 622 53 53 PHE HB2 H 2.632 0.03 1 623 53 53 PHE HB3 H 2.632 0.03 1 624 53 53 PHE HD1 H 6.973 0.03 3 625 53 53 PHE HE1 H 7.173 0.03 3 626 53 53 PHE C C 174.870 0.3 1 627 53 53 PHE CA C 55.770 0.3 1 628 53 53 PHE CB C 41.530 0.3 1 629 53 53 PHE CD1 C 131.360 0.3 3 630 53 53 PHE CE1 C 131.400 0.3 3 631 53 53 PHE N N 115.860 0.3 1 632 54 54 VAL H H 8.766 0.03 1 633 54 54 VAL HA H 4.169 0.03 1 634 54 54 VAL HB H 1.506 0.03 1 635 54 54 VAL HG1 H -0.064 0.03 2 636 54 54 VAL HG2 H 0.314 0.03 2 637 54 54 VAL C C 173.330 0.3 1 638 54 54 VAL CA C 61.920 0.3 1 639 54 54 VAL CB C 32.860 0.3 1 640 54 54 VAL CG1 C 21.030 0.3 1 641 54 54 VAL CG2 C 19.820 0.3 1 642 54 54 VAL N N 121.920 0.3 1 643 55 55 ILE H H 8.319 0.03 1 644 55 55 ILE HA H 4.512 0.03 1 645 55 55 ILE HB H 1.764 0.03 1 646 55 55 ILE HG12 H 1.485 0.03 1 647 55 55 ILE HG13 H 1.304 0.03 1 648 55 55 ILE HG2 H 0.845 0.03 1 649 55 55 ILE HD1 H 0.785 0.03 1 650 55 55 ILE C C 173.920 0.3 1 651 55 55 ILE CA C 60.880 0.3 1 652 55 55 ILE CB C 39.130 0.3 1 653 55 55 ILE CG1 C 27.000 0.3 1 654 55 55 ILE CG2 C 18.080 0.3 1 655 55 55 ILE CD1 C 15.540 0.3 1 656 55 55 ILE N N 126.350 0.3 1 657 56 56 PHE H H 9.009 0.03 1 658 56 56 PHE HA H 4.889 0.03 1 659 56 56 PHE HB2 H 3.487 0.03 2 660 56 56 PHE HB3 H 3.306 0.03 2 661 56 56 PHE HD1 H 7.219 0.03 3 662 56 56 PHE HE1 H 7.115 0.03 3 663 56 56 PHE C C 175.180 0.3 1 664 56 56 PHE CA C 59.030 0.3 1 665 56 56 PHE CB C 40.320 0.3 1 666 56 56 PHE N N 126.440 0.3 1 667 57 57 LYS H H 8.191 0.03 1 668 57 57 LYS HA H 3.969 0.03 1 669 57 57 LYS HB2 H 1.554 0.03 2 670 57 57 LYS HB3 H 2.093 0.03 2 671 57 57 LYS HG2 H 1.486 0.03 1 672 57 57 LYS HG3 H 1.486 0.03 1 673 57 57 LYS HD2 H 1.703 0.03 1 674 57 57 LYS HD3 H 1.703 0.03 1 675 57 57 LYS HE2 H 3.030 0.03 2 676 57 57 LYS HE3 H 3.024 0.03 2 677 57 57 LYS C C 176.140 0.3 1 678 57 57 LYS CA C 59.290 0.3 1 679 57 57 LYS CB C 33.850 0.3 1 680 57 57 LYS CG C 25.600 0.3 1 681 57 57 LYS CD C 29.580 0.3 1 682 57 57 LYS CE C 42.250 0.3 1 683 57 57 LYS N N 119.130 0.3 1 684 58 58 GLU H H 8.614 0.03 1 685 58 58 GLU HA H 4.850 0.03 1 686 58 58 GLU HB2 H 2.012 0.03 2 687 58 58 GLU HB3 H 2.290 0.03 2 688 58 58 GLU HG2 H 2.303 0.03 2 689 58 58 GLU HG3 H 2.369 0.03 2 690 58 58 GLU C C 177.130 0.3 1 691 58 58 GLU CA C 54.130 0.3 1 692 58 58 GLU CB C 32.230 0.3 1 693 58 58 GLU CG C 36.020 0.3 1 694 58 58 GLU N N 114.350 0.3 1 695 59 59 ILE H H 8.825 0.03 1 696 59 59 ILE HA H 3.499 0.03 1 697 59 59 ILE HB H 1.681 0.03 1 698 59 59 ILE HG12 H 1.645 0.03 1 699 59 59 ILE HG13 H 0.840 0.03 1 700 59 59 ILE HG2 H 0.734 0.03 1 701 59 59 ILE HD1 H 0.852 0.03 1 702 59 59 ILE C C 177.650 0.3 1 703 59 59 ILE CA C 65.660 0.3 1 704 59 59 ILE CB C 38.040 0.3 1 705 59 59 ILE CG1 C 29.590 0.3 1 706 59 59 ILE CG2 C 17.290 0.3 1 707 59 59 ILE CD1 C 13.780 0.3 1 708 59 59 ILE N N 122.940 0.3 1 709 60 60 GLY H H 8.875 0.03 1 710 60 60 GLY HA2 H 3.780 0.03 2 711 60 60 GLY HA3 H 3.925 0.03 2 712 60 60 GLY C C 176.700 0.3 1 713 60 60 GLY CA C 47.070 0.3 1 714 60 60 GLY N N 106.980 0.3 1 715 61 61 SER H H 6.973 0.03 1 716 61 61 SER HA H 4.141 0.03 1 717 61 61 SER HB2 H 3.071 0.03 2 718 61 61 SER HB3 H 3.662 0.03 2 719 61 61 SER C C 174.060 0.3 1 720 61 61 SER CA C 61.870 0.3 1 721 61 61 SER CB C 63.150 0.3 1 722 61 61 SER N N 116.200 0.3 1 723 62 62 ALA H H 6.786 0.03 1 724 62 62 ALA HA H 3.370 0.03 1 725 62 62 ALA HB H 1.696 0.03 1 726 62 62 ALA C C 178.960 0.3 1 727 62 62 ALA CA C 55.370 0.3 1 728 62 62 ALA CB C 19.030 0.3 1 729 62 62 ALA N N 123.660 0.3 1 730 63 63 SER H H 8.379 0.03 1 731 63 63 SER HA H 4.551 0.03 1 732 63 63 SER HB2 H 3.920 0.03 1 733 63 63 SER HB3 H 3.920 0.03 1 734 63 63 SER C C 177.040 0.3 1 735 63 63 SER CA C 61.000 0.3 1 736 63 63 SER CB C 63.090 0.3 1 737 63 63 SER N N 111.560 0.3 1 738 64 64 ASN H H 7.737 0.03 1 739 64 64 ASN HA H 4.434 0.03 1 740 64 64 ASN HB2 H 2.942 0.03 2 741 64 64 ASN HB3 H 2.921 0.03 2 742 64 64 ASN HD21 H 7.987 0.03 2 743 64 64 ASN HD22 H 6.968 0.03 2 744 64 64 ASN C C 177.490 0.3 1 745 64 64 ASN CA C 55.410 0.3 1 746 64 64 ASN CB C 37.930 0.3 1 747 64 64 ASN N N 120.200 0.3 1 748 64 64 ASN ND2 N 112.310 0.3 1 749 65 65 ALA H H 8.085 0.03 1 750 65 65 ALA HA H 4.864 0.03 1 751 65 65 ALA HB H 1.121 0.03 1 752 65 65 ALA C C 178.180 0.3 1 753 65 65 ALA CA C 54.700 0.3 1 754 65 65 ALA CB C 19.950 0.3 1 755 65 65 ALA N N 125.150 0.3 1 756 66 66 LEU H H 8.083 0.03 1 757 66 66 LEU HA H 3.560 0.03 1 758 66 66 LEU HB2 H 1.282 0.03 2 759 66 66 LEU HB3 H 1.563 0.03 2 760 66 66 LEU HG H 1.135 0.03 1 761 66 66 LEU HD1 H 0.060 0.03 2 762 66 66 LEU HD2 H 0.525 0.03 2 763 66 66 LEU C C 177.650 0.3 1 764 66 66 LEU CA C 59.540 0.3 1 765 66 66 LEU CB C 42.020 0.3 1 766 66 66 LEU CG C 27.140 0.3 1 767 66 66 LEU CD1 C 25.570 0.3 1 768 66 66 LEU CD2 C 24.800 0.3 1 769 66 66 LEU N N 118.670 0.3 1 770 67 67 ARG H H 7.620 0.03 1 771 67 67 ARG HA H 3.939 0.03 1 772 67 67 ARG HB2 H 1.850 0.03 2 773 67 67 ARG HB3 H 1.935 0.03 2 774 67 67 ARG HG2 H 1.659 0.03 2 775 67 67 ARG HG3 H 1.782 0.03 2 776 67 67 ARG HD2 H 3.222 0.03 1 777 67 67 ARG HD3 H 3.222 0.03 1 778 67 67 ARG C C 178.960 0.3 1 779 67 67 ARG CA C 58.860 0.3 1 780 67 67 ARG CB C 30.570 0.3 1 781 67 67 ARG CG C 27.680 0.3 1 782 67 67 ARG CD C 43.370 0.3 1 783 67 67 ARG N N 114.570 0.3 1 784 68 68 THR H H 7.850 0.03 1 785 68 68 THR HA H 4.040 0.03 1 786 68 68 THR HB H 3.855 0.03 1 787 68 68 THR HG2 H 1.348 0.03 1 788 68 68 THR C C 175.960 0.3 1 789 68 68 THR CA C 66.160 0.3 1 790 68 68 THR CB C 69.260 0.3 1 791 68 68 THR CG2 C 21.580 0.3 1 792 68 68 THR N N 112.630 0.3 1 793 69 69 MET H H 7.934 0.03 1 794 69 69 MET HA H 4.734 0.03 1 795 69 69 MET HB2 H 2.091 0.03 2 796 69 69 MET HB3 H 1.949 0.03 2 797 69 69 MET HG2 H 2.030 0.03 2 798 69 69 MET HG3 H 2.186 0.03 2 799 69 69 MET HE H 1.790 0.03 1 800 69 69 MET C C 175.820 0.3 1 801 69 69 MET CA C 53.560 0.3 1 802 69 69 MET CB C 29.730 0.3 1 803 69 69 MET CG C 32.800 0.3 1 804 69 69 MET CE C 17.960 0.3 1 805 69 69 MET N N 115.080 0.3 1 806 70 70 GLN H H 7.003 0.03 1 807 70 70 GLN HA H 4.043 0.03 1 808 70 70 GLN HB2 H 2.147 0.03 2 809 70 70 GLN HB3 H 2.445 0.03 2 810 70 70 GLN HG2 H 2.031 0.03 2 811 70 70 GLN HG3 H 2.605 0.03 2 812 70 70 GLN HE21 H 7.835 0.03 2 813 70 70 GLN HE22 H 7.542 0.03 2 814 70 70 GLN C C 178.020 0.3 1 815 70 70 GLN CA C 57.710 0.3 1 816 70 70 GLN CB C 30.080 0.3 1 817 70 70 GLN CG C 33.740 0.3 1 818 70 70 GLN N N 120.730 0.3 1 819 70 70 GLN NE2 N 110.680 0.3 1 820 71 71 GLY H H 8.693 0.03 1 821 71 71 GLY HA2 H 4.230 0.03 2 822 71 71 GLY HA3 H 3.817 0.03 2 823 71 71 GLY C C 173.290 0.3 1 824 71 71 GLY CA C 45.960 0.3 1 825 71 71 GLY N N 118.750 0.3 1 826 72 72 PHE H H 8.426 0.03 1 827 72 72 PHE HA H 4.641 0.03 1 828 72 72 PHE HB2 H 3.297 0.03 2 829 72 72 PHE HB3 H 3.035 0.03 2 830 72 72 PHE HD1 H 7.200 0.03 3 831 72 72 PHE HE1 H 7.520 0.03 3 832 72 72 PHE CA C 56.830 0.3 1 833 72 72 PHE CB C 40.650 0.3 1 834 72 72 PHE N N 124.640 0.3 1 835 73 73 PRO HA H 4.052 0.03 1 836 73 73 PRO HB2 H 1.693 0.03 2 837 73 73 PRO HB3 H 1.796 0.03 2 838 73 73 PRO HD2 H 2.595 0.03 2 839 73 73 PRO HD3 H 3.778 0.03 2 840 73 73 PRO C C 174.500 0.3 1 841 73 73 PRO CA C 62.460 0.3 1 842 73 73 PRO CB C 30.700 0.3 1 843 73 73 PRO CG C 27.580 0.3 1 844 73 73 PRO CD C 50.650 0.3 1 845 74 74 PHE H H 8.382 0.03 1 846 74 74 PHE HA H 4.235 0.03 1 847 74 74 PHE HB2 H 3.094 0.03 2 848 74 74 PHE HB3 H 3.278 0.03 2 849 74 74 PHE HD1 H 7.512 0.03 3 850 74 74 PHE HE1 H 7.262 0.03 3 851 74 74 PHE C C 175.590 0.3 1 852 74 74 PHE CA C 56.440 0.3 1 853 74 74 PHE CB C 42.540 0.3 1 854 74 74 PHE CD1 C 132.540 0.3 3 855 74 74 PHE CE1 C 131.650 0.3 3 856 74 74 PHE N N 128.220 0.3 1 857 75 75 TYR H H 9.185 0.03 1 858 75 75 TYR HA H 3.764 0.03 1 859 75 75 TYR HB2 H 2.549 0.03 2 860 75 75 TYR HB3 H 3.035 0.03 2 861 75 75 TYR HD1 H 6.262 0.03 3 862 75 75 TYR HE1 H 6.470 0.03 3 863 75 75 TYR C C 175.210 0.3 1 864 75 75 TYR CA C 60.780 0.3 1 865 75 75 TYR CB C 36.110 0.3 1 866 75 75 TYR CD1 C 133.280 0.3 3 867 75 75 TYR CE1 C 117.950 0.3 3 868 75 75 TYR N N 128.090 0.3 1 869 76 76 ASP H H 8.306 0.03 1 870 76 76 ASP HA H 4.075 0.03 1 871 76 76 ASP HB2 H 2.930 0.03 1 872 76 76 ASP HB3 H 2.930 0.03 1 873 76 76 ASP C C 175.390 0.3 1 874 76 76 ASP CA C 56.360 0.3 1 875 76 76 ASP CB C 40.510 0.3 1 876 76 76 ASP N N 107.370 0.3 1 877 77 77 LYS H H 7.687 0.03 1 878 77 77 LYS HA H 5.020 0.03 1 879 77 77 LYS HB2 H 1.992 0.03 2 880 77 77 LYS HB3 H 1.927 0.03 2 881 77 77 LYS HG2 H 1.486 0.03 1 882 77 77 LYS HG3 H 1.486 0.03 1 883 77 77 LYS HD2 H 1.567 0.03 2 884 77 77 LYS HD3 H 1.627 0.03 2 885 77 77 LYS HE2 H 2.874 0.03 2 886 77 77 LYS HE3 H 2.946 0.03 2 887 77 77 LYS CA C 53.450 0.3 1 888 77 77 LYS CB C 34.800 0.3 1 889 77 77 LYS CG C 24.760 0.3 1 890 77 77 LYS CD C 28.970 0.3 1 891 77 77 LYS CE C 41.960 0.3 1 892 77 77 LYS N N 118.880 0.3 1 893 78 78 PRO HA H 4.240 0.03 1 894 78 78 PRO HB2 H 1.883 0.03 2 895 78 78 PRO HB3 H 2.154 0.03 2 896 78 78 PRO HG2 H 1.972 0.03 2 897 78 78 PRO HG3 H 2.160 0.03 2 898 78 78 PRO HD2 H 3.846 0.03 2 899 78 78 PRO HD3 H 3.685 0.03 2 900 78 78 PRO C C 177.470 0.3 1 901 78 78 PRO CA C 62.310 0.3 1 902 78 78 PRO CB C 31.690 0.3 1 903 78 78 PRO CG C 27.670 0.3 1 904 78 78 PRO CD C 50.960 0.3 1 905 79 79 MET H H 8.696 0.03 1 906 79 79 MET HA H 4.289 0.03 1 907 79 79 MET HB2 H 1.895 0.03 2 908 79 79 MET HB3 H 2.380 0.03 2 909 79 79 MET HG2 H 2.692 0.03 2 910 79 79 MET HG3 H 3.187 0.03 2 911 79 79 MET HE H 2.120 0.03 1 912 79 79 MET C C 175.960 0.3 1 913 79 79 MET CA C 58.600 0.3 1 914 79 79 MET CB C 35.200 0.3 1 915 79 79 MET CG C 33.330 0.3 1 916 79 79 MET CE C 17.220 0.3 1 917 79 79 MET N N 126.540 0.3 1 918 80 80 GLN H H 7.779 0.03 1 919 80 80 GLN HA H 4.855 0.03 1 920 80 80 GLN HB2 H 1.906 0.03 2 921 80 80 GLN HB3 H 1.988 0.03 2 922 80 80 GLN HG2 H 2.331 0.03 1 923 80 80 GLN HG3 H 2.331 0.03 1 924 80 80 GLN HE21 H 7.436 0.03 2 925 80 80 GLN HE22 H 6.837 0.03 2 926 80 80 GLN C C 174.820 0.3 1 927 80 80 GLN CA C 54.550 0.3 1 928 80 80 GLN CB C 29.320 0.3 1 929 80 80 GLN CG C 33.660 0.3 1 930 80 80 GLN N N 122.810 0.3 1 931 80 80 GLN NE2 N 111.360 0.3 1 932 81 81 ILE H H 9.682 0.03 1 933 81 81 ILE HA H 5.010 0.03 1 934 81 81 ILE HB H 1.528 0.03 1 935 81 81 ILE HG12 H 1.605 0.03 1 936 81 81 ILE HG13 H 1.605 0.03 1 937 81 81 ILE HG2 H 0.759 0.03 1 938 81 81 ILE HD1 H 0.846 0.03 1 939 81 81 ILE C C 174.710 0.3 1 940 81 81 ILE CA C 60.900 0.3 1 941 81 81 ILE CB C 40.120 0.3 1 942 81 81 ILE CG1 C 28.080 0.3 1 943 81 81 ILE CG2 C 19.610 0.3 1 944 81 81 ILE CD1 C 14.390 0.3 1 945 81 81 ILE N N 126.070 0.3 1 946 82 82 ALA H H 9.039 0.03 1 947 82 82 ALA HA H 4.620 0.03 1 948 82 82 ALA HB H 1.468 0.03 1 949 82 82 ALA C C 176.700 0.3 1 950 82 82 ALA CA C 50.890 0.3 1 951 82 82 ALA CB C 23.420 0.3 1 952 82 82 ALA N N 130.310 0.3 1 953 83 83 TYR H H 8.411 0.03 1 954 83 83 TYR HA H 4.905 0.03 1 955 83 83 TYR HB2 H 2.715 0.03 2 956 83 83 TYR HB3 H 3.210 0.03 2 957 83 83 TYR HD1 H 7.200 0.03 3 958 83 83 TYR HE1 H 6.710 0.03 3 959 83 83 TYR C C 176.900 0.3 1 960 83 83 TYR CA C 59.280 0.3 1 961 83 83 TYR CB C 39.350 0.3 1 962 83 83 TYR CD1 C 132.960 0.3 3 963 83 83 TYR N N 118.580 0.3 1 964 84 84 SER H H 8.452 0.03 1 965 84 84 SER HA H 4.248 0.03 1 966 84 84 SER HB2 H 3.792 0.03 2 967 84 84 SER HB3 H 3.748 0.03 2 968 84 84 SER C C 174.220 0.3 1 969 84 84 SER CA C 58.560 0.3 1 970 84 84 SER CB C 64.100 0.3 1 971 84 84 SER N N 115.040 0.3 1 972 85 85 LYS H H 8.443 0.03 1 973 85 85 LYS HA H 4.275 0.03 1 974 85 85 LYS HB2 H 1.742 0.03 1 975 85 85 LYS HB3 H 1.742 0.03 1 976 85 85 LYS HE2 H 2.993 0.03 1 977 85 85 LYS HE3 H 2.993 0.03 1 978 85 85 LYS C C 177.080 0.3 1 979 85 85 LYS CA C 56.960 0.3 1 980 85 85 LYS CB C 33.150 0.3 1 981 85 85 LYS CG C 25.060 0.3 1 982 85 85 LYS CD C 29.170 0.3 1 983 85 85 LYS CE C 42.030 0.3 1 984 85 85 LYS N N 123.610 0.3 1 985 86 86 SER H H 8.204 0.03 1 986 86 86 SER HA H 4.335 0.03 1 987 86 86 SER HB2 H 3.828 0.03 2 988 86 86 SER C C 174.080 0.3 1 989 86 86 SER CA C 58.400 0.3 1 990 86 86 SER CB C 63.750 0.3 1 991 86 86 SER N N 115.780 0.3 1 992 87 87 ASP H H 8.435 0.03 1 993 87 87 ASP HA H 4.578 0.03 1 994 87 87 ASP HB2 H 2.585 0.03 2 995 87 87 ASP HB3 H 2.653 0.03 2 996 87 87 ASP C C 176.630 0.3 1 997 87 87 ASP CA C 54.260 0.3 1 998 87 87 ASP CB C 40.780 0.3 1 999 87 87 ASP N N 121.910 0.3 1 1000 88 88 SER H H 8.061 0.03 1 1001 88 88 SER HA H 4.328 0.03 1 1002 88 88 SER HB2 H 3.823 0.03 2 1003 88 88 SER HB3 H 3.962 0.03 2 1004 88 88 SER C C 174.840 0.3 1 1005 88 88 SER CA C 58.800 0.3 1 1006 88 88 SER CB C 63.870 0.3 1 1007 88 88 SER N N 116.440 0.3 1 1008 89 89 ASP H H 8.556 0.03 1 1009 89 89 ASP HA H 4.460 0.03 1 1010 89 89 ASP HB2 H 2.634 0.03 1 1011 89 89 ASP HB3 H 2.634 0.03 1 1012 89 89 ASP C C 177.450 0.3 1 1013 89 89 ASP CA C 56.110 0.3 1 1014 89 89 ASP CB C 40.500 0.3 1 1015 89 89 ASP N N 123.080 0.3 1 1016 90 90 ILE H H 7.756 0.03 1 1017 90 90 ILE HA H 3.829 0.03 1 1018 90 90 ILE HB H 1.735 0.03 1 1019 90 90 ILE HG12 H 1.372 0.03 1 1020 90 90 ILE HG13 H 1.040 0.03 1 1021 90 90 ILE HG2 H 0.774 0.03 1 1022 90 90 ILE HD1 H 0.745 0.03 1 1023 90 90 ILE C C 177.060 0.3 1 1024 90 90 ILE CA C 63.070 0.3 1 1025 90 90 ILE CB C 38.290 0.3 1 1026 90 90 ILE CG1 C 28.090 0.3 1 1027 90 90 ILE CG2 C 17.660 0.3 1 1028 90 90 ILE CD1 C 13.070 0.3 1 1029 90 90 ILE N N 119.250 0.3 1 1030 91 91 VAL H H 7.459 0.03 1 1031 91 91 VAL HA H 3.613 0.03 1 1032 91 91 VAL HB H 1.942 0.03 1 1033 91 91 VAL HG1 H 0.778 0.03 2 1034 91 91 VAL HG2 H 0.837 0.03 2 1035 91 91 VAL C C 177.080 0.3 1 1036 91 91 VAL CA C 65.250 0.3 1 1037 91 91 VAL CB C 31.970 0.3 1 1038 91 91 VAL CG1 C 22.100 0.3 1 1039 91 91 VAL CG2 C 21.160 0.3 1 1040 91 91 VAL N N 121.040 0.3 1 1041 92 92 ALA H H 8.076 0.03 1 1042 92 92 ALA HA H 4.098 0.03 1 1043 92 92 ALA HB H 1.416 0.03 1 1044 92 92 ALA C C 179.510 0.3 1 1045 92 92 ALA CA C 54.180 0.3 1 1046 92 92 ALA CB C 18.660 0.3 1 1047 92 92 ALA N N 122.880 0.3 1 1048 93 93 LYS H H 7.946 0.03 1 1049 93 93 LYS HA H 4.136 0.03 1 1050 93 93 LYS HB2 H 1.836 0.03 1 1051 93 93 LYS HB3 H 1.836 0.03 1 1052 93 93 LYS HG2 H 1.318 0.03 2 1053 93 93 LYS HG3 H 1.445 0.03 2 1054 93 93 LYS HD2 H 1.580 0.03 1 1055 93 93 LYS HD3 H 1.580 0.03 1 1056 93 93 LYS HE2 H 2.790 0.03 1 1057 93 93 LYS HE3 H 2.790 0.03 1 1058 93 93 LYS C C 178.300 0.3 1 1059 93 93 LYS CA C 58.000 0.3 1 1060 93 93 LYS CB C 32.550 0.3 1 1061 93 93 LYS CG C 25.410 0.3 1 1062 93 93 LYS CD C 29.240 0.3 1 1063 93 93 LYS CE C 42.040 0.3 1 1064 93 93 LYS N N 118.800 0.3 1 1065 94 94 ILE H H 7.894 0.03 1 1066 94 94 ILE HA H 3.906 0.03 1 1067 94 94 ILE HB H 1.869 0.03 1 1068 94 94 ILE HG12 H 1.148 0.03 1 1069 94 94 ILE HG13 H 1.575 0.03 1 1070 94 94 ILE HG2 H 0.855 0.03 1 1071 94 94 ILE HD1 H 0.750 0.03 1 1072 94 94 ILE C C 177.720 0.3 1 1073 94 94 ILE CA C 63.200 0.3 1 1074 94 94 ILE CB C 38.330 0.3 1 1075 94 94 ILE CG1 C 28.250 0.3 1 1076 94 94 ILE CG2 C 17.630 0.3 1 1077 94 94 ILE CD1 C 13.600 0.3 1 1078 94 94 ILE N N 120.760 0.3 1 1079 95 95 LYS H H 8.310 0.03 1 1080 95 95 LYS HA H 4.083 0.03 1 1081 95 95 LYS HB2 H 1.836 0.03 1 1082 95 95 LYS HB3 H 1.836 0.03 1 1083 95 95 LYS HG2 H 1.331 0.03 2 1084 95 95 LYS HG3 H 1.435 0.03 2 1085 95 95 LYS HD2 H 1.608 0.03 1 1086 95 95 LYS HD3 H 1.608 0.03 1 1087 95 95 LYS HE2 H 2.899 0.03 1 1088 95 95 LYS HE3 H 2.899 0.03 1 1089 95 95 LYS C C 177.660 0.3 1 1090 95 95 LYS CA C 57.930 0.3 1 1091 95 95 LYS CB C 32.860 0.3 1 1092 95 95 LYS CG C 25.380 0.3 1 1093 95 95 LYS CD C 29.300 0.3 1 1094 95 95 LYS CE C 41.790 0.3 1 1095 95 95 LYS N N 121.330 0.3 1 1096 96 96 GLY H H 8.122 0.03 1 1097 96 96 GLY HA2 H 3.999 0.03 1 1098 96 96 GLY HA3 H 3.999 0.03 1 1099 96 96 GLY C C 174.640 0.3 1 1100 96 96 GLY CA C 45.660 0.3 1 1101 96 96 GLY N N 107.870 0.3 1 1102 97 97 THR H H 7.968 0.03 1 1103 97 97 THR HA H 4.294 0.03 1 1104 97 97 THR HB H 4.198 0.03 1 1105 97 97 THR HG2 H 1.126 0.03 1 1106 97 97 THR C C 174.590 0.3 1 1107 97 97 THR CA C 62.160 0.3 1 1108 97 97 THR CB C 69.630 0.3 1 1109 97 97 THR CG2 C 21.560 0.3 1 1110 97 97 THR N N 112.820 0.3 1 1111 98 98 PHE H H 7.938 0.03 1 1112 98 98 PHE HA H 4.552 0.03 1 1113 98 98 PHE HB2 H 2.982 0.03 2 1114 98 98 PHE HB3 H 3.106 0.03 2 1115 98 98 PHE HD1 H 7.232 0.03 3 1116 98 98 PHE HE1 H 7.520 0.03 3 1117 98 98 PHE C C 175.370 0.3 1 1118 98 98 PHE CA C 58.150 0.3 1 1119 98 98 PHE CB C 39.550 0.3 1 1120 98 98 PHE CD1 C 131.820 0.3 3 1121 98 98 PHE N N 122.400 0.3 1 1122 99 99 LYS H H 7.986 0.03 1 1123 99 99 LYS HA H 4.242 0.03 1 1124 99 99 LYS HB2 H 1.677 0.03 1 1125 99 99 LYS HB3 H 1.677 0.03 1 1126 99 99 LYS HG2 H 1.363 0.03 1 1127 99 99 LYS HG3 H 1.363 0.03 1 1128 99 99 LYS HD2 H 1.740 0.03 2 1129 99 99 LYS HD3 H 1.653 0.03 2 1130 99 99 LYS HE2 H 3.056 0.03 2 1131 99 99 LYS HE3 H 2.979 0.03 2 1132 99 99 LYS C C 175.750 0.3 1 1133 99 99 LYS CA C 56.030 0.3 1 1134 99 99 LYS CB C 33.390 0.3 1 1135 99 99 LYS CG C 24.490 0.3 1 1136 99 99 LYS CD C 29.960 0.3 1 1137 99 99 LYS CE C 42.080 0.3 1 1138 99 99 LYS N N 123.810 0.3 1 1139 100 100 GLU H H 8.247 0.03 1 1140 100 100 GLU HA H 4.202 0.03 1 1141 100 100 GLU HB2 H 1.919 0.03 2 1142 100 100 GLU HB3 H 2.012 0.03 2 1143 100 100 GLU HG2 H 2.265 0.03 2 1144 100 100 GLU HG3 H 2.278 0.03 2 1145 100 100 GLU C C 176.210 0.3 1 1146 100 100 GLU CA C 56.270 0.3 1 1147 100 100 GLU CB C 30.550 0.3 1 1148 100 100 GLU CG C 36.240 0.3 1 1149 100 100 GLU N N 122.270 0.3 1 1150 101 101 ARG H H 8.415 0.03 1 1151 101 101 ARG HA H 4.590 0.03 1 1152 101 101 ARG HB2 H 1.750 0.03 2 1153 101 101 ARG HB3 H 1.855 0.03 2 1154 101 101 ARG HG2 H 1.691 0.03 1 1155 101 101 ARG HG3 H 1.691 0.03 1 1156 101 101 ARG HD2 H 3.212 0.03 1 1157 101 101 ARG HD3 H 3.212 0.03 1 1158 101 101 ARG CA C 53.980 0.3 1 1159 101 101 ARG CB C 30.070 0.3 1 1160 101 101 ARG CG C 26.910 0.3 1 1161 101 101 ARG CD C 43.430 0.3 1 1162 101 101 ARG N N 123.970 0.3 1 1163 102 102 PRO HA H 4.421 0.03 1 1164 102 102 PRO HB2 H 1.893 0.03 2 1165 102 102 PRO HB3 H 2.305 0.03 2 1166 102 102 PRO HG2 H 2.020 0.03 1 1167 102 102 PRO HG3 H 2.020 0.03 1 1168 102 102 PRO HD2 H 3.624 0.03 2 1169 102 102 PRO HD3 H 3.807 0.03 2 1170 102 102 PRO C C 176.700 0.3 1 1171 102 102 PRO CA C 63.090 0.3 1 1172 102 102 PRO CB C 32.160 0.3 1 1173 102 102 PRO CG C 27.360 0.3 1 1174 102 102 PRO CD C 50.760 0.3 1 1175 103 103 LYS H H 8.445 0.03 1 1176 103 103 LYS HA H 4.294 0.03 1 1177 103 103 LYS HB2 H 1.856 0.03 1 1178 103 103 LYS HB3 H 1.856 0.03 1 1179 103 103 LYS HG2 H 1.474 0.03 1 1180 103 103 LYS HG3 H 1.474 0.03 1 1181 103 103 LYS HD2 H 1.692 0.03 1 1182 103 103 LYS HD3 H 1.692 0.03 1 1183 103 103 LYS HE2 H 3.014 0.03 1 1184 103 103 LYS HE3 H 3.014 0.03 1 1185 103 103 LYS C C 175.690 0.3 1 1186 103 103 LYS CA C 56.380 0.3 1 1187 103 103 LYS CB C 33.150 0.3 1 1188 103 103 LYS CG C 24.710 0.3 1 1189 103 103 LYS CD C 29.180 0.3 1 1190 103 103 LYS CE C 42.040 0.3 1 1191 103 103 LYS N N 122.480 0.3 1 1192 104 104 LYS H H 7.926 0.03 1 1193 104 104 LYS HA H 4.153 0.03 1 1194 104 104 LYS HB2 H 1.703 0.03 2 1195 104 104 LYS HB3 H 1.794 0.03 2 1196 104 104 LYS HG2 H 1.373 0.03 1 1197 104 104 LYS HG3 H 1.373 0.03 1 1198 104 104 LYS HD2 H 1.675 0.03 1 1199 104 104 LYS HD3 H 1.675 0.03 1 1200 104 104 LYS HE2 H 2.989 0.03 1 1201 104 104 LYS HE3 H 2.989 0.03 1 1202 104 104 LYS CA C 57.730 0.3 1 1203 104 104 LYS CB C 33.780 0.3 1 1204 104 104 LYS CG C 24.740 0.3 1 1205 104 104 LYS CD C 29.240 0.3 1 1206 104 104 LYS CE C 42.050 0.3 1 1207 104 104 LYS N N 127.670 0.3 1 stop_ save_