data_6044 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignment and secondary structure of the La motif ; _BMRB_accession_number 6044 _BMRB_flat_file_name bmr6044.str _Entry_type original _Submission_date 2003-12-12 _Accession_date 2003-12-12 _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 Sanfelice Domenico . . 2 BaboN Jeff . . 3 Kelly Geoff . . 4 Curry Stephen . . 5 Conte Maria R. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 608 "13C chemical shifts" 464 "15N chemical shifts" 99 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-06-30 original author . stop_ _Original_release_date 2004-06-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Resonance assignment and secondary structure of the La Motif ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15213463 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sanfelice Domenico . . 2 Babon Jeff . . 3 Kelly Geoff . . 4 Curry Stephen . . 5 Conte Maria R. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 449 _Page_last 450 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_La _Saveframe_category molecular_system _Mol_system_name 'La protein' _Abbreviation_common La _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'La motif' $La stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_La _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'La protein' _Abbreviation_common La _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 103 _Mol_residue_sequence ; MAENGDNEKMAALEAKICHQ IEYYFGDFNLPRDKFLKEQI KLDEGWVPLEIMIKFNRLNR LTTDFNVIVEALSKSKAELM EISEDKTKIRRSPSKPLPEV TDE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 ASN 5 GLY 6 ASP 7 ASN 8 GLU 9 LYS 10 MET 11 ALA 12 ALA 13 LEU 14 GLU 15 ALA 16 LYS 17 ILE 18 CYS 19 HIS 20 GLN 21 ILE 22 GLU 23 TYR 24 TYR 25 PHE 26 GLY 27 ASP 28 PHE 29 ASN 30 LEU 31 PRO 32 ARG 33 ASP 34 LYS 35 PHE 36 LEU 37 LYS 38 GLU 39 GLN 40 ILE 41 LYS 42 LEU 43 ASP 44 GLU 45 GLY 46 TRP 47 VAL 48 PRO 49 LEU 50 GLU 51 ILE 52 MET 53 ILE 54 LYS 55 PHE 56 ASN 57 ARG 58 LEU 59 ASN 60 ARG 61 LEU 62 THR 63 THR 64 ASP 65 PHE 66 ASN 67 VAL 68 ILE 69 VAL 70 GLU 71 ALA 72 LEU 73 SER 74 LYS 75 SER 76 LYS 77 ALA 78 GLU 79 LEU 80 MET 81 GLU 82 ILE 83 SER 84 GLU 85 ASP 86 LYS 87 THR 88 LYS 89 ILE 90 ARG 91 ARG 92 SER 93 PRO 94 SER 95 LYS 96 PRO 97 LEU 98 PRO 99 GLU 100 VAL 101 THR 102 ASP 103 GLU 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 BMRB 15726 La_protein 100.00 197 100.00 100.00 2.64e-67 BMRB 15727 La_protein 100.00 197 100.00 100.00 2.64e-67 BMRB 17878 human_La_protein 97.09 322 100.00 100.00 5.29e-64 PDB 1S7A "Nmr Structure Of The La Motif Of Human La Protein" 100.00 103 100.00 100.00 3.32e-68 PDB 1YTY "Structural Basis For Recognition Of Uuuoh 3'-Terminii Of Nascent Rna Pol Iii Transcripts By La Autoantigen" 99.03 194 97.06 97.06 1.91e-63 PDB 1ZH5 "Structural Basis For Recognition Of Uuuoh 3'-Terminii Of Nascent Rna Pol Iii Transcripts By La Autoantigen" 99.03 195 97.06 97.06 1.88e-63 PDB 2VOD "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auauuuu" 99.03 193 98.04 98.04 3.39e-65 PDB 2VON "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auaauuu" 99.03 193 98.04 98.04 3.39e-65 PDB 2VOO "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Uuuuuuuu" 99.03 193 98.04 98.04 3.39e-65 PDB 2VOP "Crystal Structure Of N-Terminal Domains Of Human La Protein Complexed With Rna Oligomer Auuuu" 99.03 193 98.04 98.04 3.39e-65 DBJ BAE87871 "unnamed protein product [Macaca fascicularis]" 100.00 405 100.00 100.00 1.13e-65 DBJ BAE87890 "unnamed protein product [Macaca fascicularis]" 100.00 405 100.00 100.00 1.13e-65 DBJ BAG70042 "autoantigen La [Homo sapiens]" 100.00 408 100.00 100.00 1.14e-65 DBJ BAG70165 "autoantigen La [Homo sapiens]" 100.00 408 100.00 100.00 1.13e-65 DBJ BAI45822 "Sjogren syndrome antigen B [synthetic construct]" 100.00 408 100.00 100.00 1.14e-65 EMBL CAA31985 "unnamed protein product [Homo sapiens]" 100.00 408 100.00 100.00 1.14e-65 EMBL CAA31986 "unnamed protein product [Bos taurus]" 100.00 404 99.03 100.00 3.84e-65 GB AAA51885 "La protein [Homo sapiens]" 100.00 408 100.00 100.00 1.14e-65 GB AAH01289 "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" 100.00 408 100.00 100.00 1.14e-65 GB AAH20818 "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" 100.00 408 100.00 100.00 1.14e-65 GB AAI03235 "Sjogren syndrome antigen B (autoantigen La) [Bos taurus]" 100.00 404 100.00 100.00 8.37e-66 GB AAP88864 "Sjogren syndrome antigen B (autoantigen La) [Homo sapiens]" 100.00 408 100.00 100.00 1.14e-65 REF NP_001267347 "lupus La protein [Pan troglodytes]" 100.00 408 100.00 100.00 1.12e-65 REF NP_001270975 "Sjogren syndrome antigen B (autoantigen La) [Macaca fascicularis]" 100.00 405 100.00 100.00 1.13e-65 REF NP_001281074 "lupus La protein [Homo sapiens]" 100.00 408 100.00 100.00 1.14e-65 REF NP_003133 "lupus La protein [Homo sapiens]" 100.00 408 100.00 100.00 1.14e-65 REF NP_788838 "lupus La protein homolog [Bos taurus]" 100.00 404 99.03 100.00 3.84e-65 SP P05455 "RecName: Full=Lupus La protein; AltName: Full=La autoantigen; AltName: Full=La ribonucleoprotein; AltName: Full=Sjoegren syndro" 100.00 408 100.00 100.00 1.14e-65 SP P10881 "RecName: Full=Lupus La protein homolog; AltName: Full=La autoantigen homolog; AltName: Full=La ribonucleoprotein [Bos taurus]" 100.00 404 100.00 100.00 8.37e-66 TPG DAA32804 "TPA: lupus La protein homolog [Bos taurus]" 100.00 404 100.00 100.00 8.37e-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 $La Human 9606 Eukaryota Metazoa Homo sapiens 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 $La 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $La 0.9 mM '[U-15N; U-13C]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Invoa _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Invoa _Field_strength 800 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 n/a temperature 293 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'La motif' _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 ALA CA C 52.613 0.01 1 2 . 2 ALA CB C 19.407 0.01 1 3 . 2 ALA C C 177.420 0.01 1 4 . 3 GLU N N 121.036 0.01 1 5 . 3 GLU H H 8.631 0.01 1 6 . 3 GLU CA C 56.851 0.01 1 7 . 3 GLU HA H 4.791 0.01 1 8 . 3 GLU CB C 30.036 0.01 1 9 . 3 GLU C C 176.420 0.01 1 10 . 4 ASN N N 119.437 0.01 1 11 . 4 ASN H H 8.588 0.01 1 12 . 4 ASN CA C 53.447 0.01 1 13 . 4 ASN HA H 4.632 0.01 1 14 . 4 ASN CB C 38.858 0.01 1 15 . 4 ASN C C 175.810 0.01 1 16 . 5 GLY N N 109.506 0.01 1 17 . 5 GLY H H 8.462 0.01 1 18 . 5 GLY CA C 45.639 0.01 1 19 . 5 GLY HA2 H 3.996 0.01 2 20 . 5 GLY HA3 H 4.005 0.01 2 21 . 5 GLY C C 174.380 0.01 1 22 . 6 ASP N N 120.768 0.01 1 23 . 6 ASP H H 8.302 0.01 1 24 . 6 ASP CA C 55.395 0.01 1 25 . 6 ASP HA H 4.597 0.01 1 26 . 6 ASP CB C 40.855 0.01 1 27 . 6 ASP HB2 H 2.663 0.003 2 28 . 6 ASP HB3 H 2.747 0.003 2 29 . 6 ASP C C 176.950 0.01 1 30 . 7 ASN N N 119.436 0.01 1 31 . 7 ASN H H 8.594 0.01 1 32 . 7 ASN CA C 54.778 0.01 1 33 . 7 ASN HA H 4.605 0.001 1 34 . 7 ASN CB C 38.386 0.01 1 35 . 7 ASN HB2 H 2.834 0.003 2 36 . 7 ASN HB3 H 2.877 0.003 2 37 . 7 ASN C C 176.650 0.01 1 38 . 8 GLU N N 121.486 0.01 1 39 . 8 GLU H H 8.471 0.01 1 40 . 8 GLU CA C 58.790 0.01 1 41 . 8 GLU HA H 4.185 0.01 1 42 . 8 GLU CB C 29.436 0.01 1 43 . 8 GLU HB2 H 2.109 0.009 1 44 . 8 GLU HB3 H 2.109 0.01 1 45 . 8 GLU CG C 36.535 0.01 1 46 . 8 GLU HG2 H 2.335 0.01 1 47 . 8 GLU HG3 H 2.335 0.01 1 48 . 8 GLU C C 178.360 0.01 1 49 . 9 LYS N N 121.086 0.01 1 50 . 9 LYS H H 8.176 0.01 1 51 . 9 LYS CA C 58.506 0.01 1 52 . 9 LYS HA H 4.147 0.01 1 53 . 9 LYS CB C 32.455 0.01 1 54 . 9 LYS C C 179.220 0.01 1 55 . 10 MET N N 120.399 0.01 1 56 . 10 MET H H 8.236 0.01 1 57 . 10 MET CA C 57.093 0.01 1 58 . 10 MET HA H 4.495 0.003 1 59 . 10 MET CB C 31.905 0.01 1 60 . 10 MET HB2 H 2.109 0.001 2 61 . 10 MET HB3 H 2.143 0.002 2 62 . 10 MET CG C 32.060 0.01 1 63 . 10 MET HG2 H 2.148 0.01 2 64 . 10 MET HG3 H 2.614 0.003 2 65 . 10 MET CE C 17.091 0.01 1 66 . 10 MET HE H 2.124 0.01 1 67 . 10 MET C C 177.510 0.01 1 68 . 11 ALA N N 123.164 0.01 1 69 . 11 ALA H H 8.277 0.01 1 70 . 11 ALA CA C 54.778 0.01 1 71 . 11 ALA HA H 4.281 0.003 1 72 . 11 ALA CB C 18.171 0.01 1 73 . 11 ALA HB H 1.523 0.01 1 74 . 11 ALA C C 180.430 0.01 1 75 . 12 ALA N N 121.483 0.01 1 76 . 12 ALA H H 8.066 0.01 1 77 . 12 ALA CA C 54.932 0.01 1 78 . 12 ALA HA H 4.251 0.003 1 79 . 12 ALA CB C 18.017 0.01 1 80 . 12 ALA HB H 1.529 0.005 1 81 . 12 ALA C C 180.180 0.01 1 82 . 13 LEU N N 121.126 0.01 1 83 . 13 LEU H H 7.934 0.01 1 84 . 13 LEU CA C 58.643 0.01 1 85 . 13 LEU HA H 4.184 0.001 1 86 . 13 LEU CB C 41.480 0.01 1 87 . 13 LEU HB2 H 1.704 0.002 2 88 . 13 LEU HB3 H 2.093 0.003 2 89 . 13 LEU CG C 27.283 0.01 1 90 . 13 LEU HG H 1.556 0.002 1 91 . 13 LEU CD1 C 23.888 0.01 1 92 . 13 LEU HD1 H 1.056 0.002 2 93 . 13 LEU CD2 C 25.740 0.01 1 94 . 13 LEU HD2 H 1.012 0.002 2 95 . 13 LEU C C 178.900 0.01 1 96 . 14 GLU N N 117.250 0.01 1 97 . 14 GLU H H 8.556 0.01 1 98 . 14 GLU CA C 60.330 0.01 1 99 . 14 GLU HA H 3.773 0.003 1 100 . 14 GLU CB C 29.436 0.01 1 101 . 14 GLU HB2 H 1.994 0.001 2 102 . 14 GLU HB3 H 2.346 0.003 2 103 . 14 GLU CG C 36.998 0.01 1 104 . 14 GLU HG2 H 2.016 0.01 2 105 . 14 GLU HG3 H 2.701 0.002 2 106 . 14 GLU C C 178.650 0.01 1 107 . 15 ALA N N 120.413 0.01 1 108 . 15 ALA H H 7.879 0.01 1 109 . 15 ALA CA C 55.241 0.01 1 110 . 15 ALA HA H 4.171 0.002 1 111 . 15 ALA CB C 18.017 0.01 1 112 . 15 ALA HB H 1.519 0.01 1 113 . 15 ALA C C 180.520 0.01 1 114 . 16 LYS N N 118.991 0.01 1 115 . 16 LYS H H 7.801 0.01 1 116 . 16 LYS CA C 60.179 0.01 1 117 . 16 LYS HA H 4.106 0.003 1 118 . 16 LYS CB C 33.294 0.01 1 119 . 16 LYS HB2 H 2.033 0.002 2 120 . 16 LYS HB3 H 2.078 0.043 2 121 . 16 LYS CG C 26.041 0.01 1 122 . 16 LYS HG2 H 1.503 0.002 2 123 . 16 LYS HG3 H 1.816 0.002 2 124 . 16 LYS CD C 29.745 0.01 1 125 . 16 LYS HD2 H 1.679 0.001 2 126 . 16 LYS HD3 H 1.752 0.002 2 127 . 16 LYS CE C 42.090 0.01 1 128 . 16 LYS HE2 H 2.958 0.005 1 129 . 16 LYS HE3 H 2.958 0.01 1 130 . 16 LYS C C 176.740 0.01 1 131 . 17 ILE N N 120.778 0.01 1 132 . 17 ILE H H 8.527 0.01 1 133 . 17 ILE CA C 66.197 0.01 1 134 . 17 ILE HA H 3.467 0.001 1 135 . 17 ILE CB C 38.541 0.01 1 136 . 17 ILE HB H 1.984 0.01 1 137 . 17 ILE CG2 C 18.182 0.01 1 138 . 17 ILE HG2 H 0.929 0.01 1 139 . 17 ILE CG1 C 30.212 0.01 1 140 . 17 ILE HG12 H 0.785 0.003 2 141 . 17 ILE HG13 H 2.024 0.001 2 142 . 17 ILE CD1 C 16.320 0.01 1 143 . 17 ILE HD1 H 0.780 0.008 1 144 . 17 ILE C C 177.770 0.01 1 145 . 18 CYS N N 117.253 0.01 1 146 . 18 CYS H H 8.233 0.01 1 147 . 18 CYS CA C 64.808 0.01 1 148 . 18 CYS HA H 3.838 0.003 1 149 . 18 CYS CB C 26.041 0.01 1 150 . 18 CYS HB2 H 2.895 0.003 2 151 . 18 CYS HB3 H 2.990 0.003 2 152 . 18 CYS C C 176.110 0.01 1 153 . 19 HIS N N 116.563 0.019 1 154 . 19 HIS H H 8.369 0.007 1 155 . 19 HIS CA C 59.562 0.01 1 156 . 19 HIS HA H 4.302 0.002 1 157 . 19 HIS CB C 30.208 0.01 1 158 . 19 HIS HB2 H 3.173 0.001 2 159 . 19 HIS HB3 H 3.254 0.001 2 160 . 19 HIS CD2 C 120.241 0.01 1 161 . 19 HIS CE1 C 137.540 0.01 1 162 . 19 HIS HD2 H 6.939 0.003 2 163 . 19 HIS HE1 H 8.015 0.01 1 164 . 19 HIS C C 178.250 0.01 1 165 . 20 GLN N N 116.534 0.029 1 166 . 20 GLN H H 8.080 0.01 1 167 . 20 GLN CA C 58.019 0.01 1 168 . 20 GLN HA H 4.053 0.003 1 169 . 20 GLN CB C 28.510 0.01 1 170 . 20 GLN HB2 H 2.048 0.001 2 171 . 20 GLN HB3 H 2.194 0.001 2 172 . 20 GLN CG C 33.140 0.01 1 173 . 20 GLN HG2 H 2.202 0.002 2 174 . 20 GLN HG3 H 2.421 0.01 2 175 . 20 GLN C C 178.110 0.01 1 176 . 21 ILE N N 119.007 0.010 1 177 . 21 ILE H H 8.374 0.008 1 178 . 21 ILE CA C 66.815 0.01 1 179 . 21 ILE HA H 3.965 0.001 1 180 . 21 ILE CB C 37.461 0.01 1 181 . 21 ILE HB H 2.029 0.002 1 182 . 21 ILE CG2 C 18.326 0.01 1 183 . 21 ILE HG2 H 1.123 0.01 1 184 . 21 ILE CG1 C 30.825 0.01 1 185 . 21 ILE HG12 H 1.167 0.001 2 186 . 21 ILE HG13 H 2.113 0.002 2 187 . 21 ILE CD1 C 14.005 0.01 1 188 . 21 ILE HD1 H 0.916 0.002 1 189 . 21 ILE C C 177.240 0.01 1 190 . 22 GLU N N 117.263 0.031 1 191 . 22 GLU H H 8.984 0.005 1 192 . 22 GLU CA C 59.253 0.01 1 193 . 22 GLU HA H 3.875 0.01 1 194 . 22 GLU CB C 27.739 0.01 1 195 . 22 GLU HB2 H 1.790 0.01 2 196 . 22 GLU HB3 H 2.168 0.01 2 197 . 22 GLU CG C 37.769 0.01 1 198 . 22 GLU HG2 H 2.073 0.01 2 199 . 22 GLU HG3 H 2.443 0.002 2 200 . 22 GLU C C 178.720 0.01 1 201 . 23 TYR N N 119.387 0.033 1 202 . 23 TYR H H 7.761 0.006 1 203 . 23 TYR CA C 61.730 0.01 1 204 . 23 TYR HA H 4.194 0.002 1 205 . 23 TYR CB C 37.159 0.01 1 206 . 23 TYR HB2 H 2.885 0.01 2 207 . 23 TYR HB3 H 3.006 0.003 2 208 . 23 TYR CD1 C 133.520 0.01 1 209 . 23 TYR HD1 H 6.724 0.01 1 210 . 23 TYR CE1 C 118.706 0.01 1 211 . 23 TYR HE1 H 6.735 0.001 1 212 . 23 TYR CE2 C 118.706 0.01 1 213 . 23 TYR HE2 H 6.735 0.01 1 214 . 23 TYR CD2 C 133.520 0.01 1 215 . 23 TYR HD2 H 6.724 0.01 1 216 . 23 TYR C C 179.250 0.01 1 217 . 24 TYR N N 120.802 0.045 1 218 . 24 TYR H H 8.164 0.003 1 219 . 24 TYR CA C 60.796 0.01 1 220 . 24 TYR HA H 4.165 0.01 1 221 . 24 TYR CB C 37.461 0.01 1 222 . 24 TYR HB2 H 2.669 0.002 2 223 . 24 TYR HB3 H 3.141 0.001 2 224 . 24 TYR CD1 C 132.775 0.01 1 225 . 24 TYR HD1 H 7.054 0.004 1 226 . 24 TYR CE1 C 118.544 0.01 1 227 . 24 TYR HE1 H 6.755 0.003 1 228 . 24 TYR CE2 C 118.544 0.01 1 229 . 24 TYR HE2 H 6.755 0.01 1 230 . 24 TYR CD2 C 132.775 0.01 1 231 . 24 TYR HD2 H 7.054 0.01 1 232 . 24 TYR C C 177.110 0.01 1 233 . 25 PHE N N 111.606 0.025 1 234 . 25 PHE H H 7.735 0.006 1 235 . 25 PHE CA C 58.790 0.01 1 236 . 25 PHE HA H 4.450 0.006 1 237 . 25 PHE CB C 39.312 0.01 1 238 . 25 PHE HB2 H 2.920 0.01 2 239 . 25 PHE HB3 H 3.395 0.01 2 240 . 25 PHE CD1 C 133.393 0.01 1 241 . 25 PHE HD1 H 7.555 0.003 1 242 . 25 PHE CE1 C 131.386 0.01 1 243 . 25 PHE HE1 H 7.324 0.001 1 244 . 25 PHE CZ C 129.843 0.01 1 245 . 25 PHE HZ H 7.126 0.01 1 246 . 25 PHE CE2 C 131.386 0.01 1 247 . 25 PHE HE2 H 7.324 0.01 1 248 . 25 PHE CD2 C 133.393 0.01 1 249 . 25 PHE HD2 H 7.555 0.01 1 250 . 25 PHE C C 173.620 0.01 1 251 . 26 GLY N N 108.097 0.01 1 252 . 26 GLY H H 7.372 0.002 1 253 . 26 GLY CA C 45.330 0.01 1 254 . 26 GLY HA2 H 3.996 0.002 2 255 . 26 GLY HA3 H 4.095 0.002 2 256 . 26 GLY C C 172.830 0.01 1 257 . 27 ASP N N 115.458 0.062 1 258 . 27 ASP H H 8.561 0.002 1 259 . 27 ASP CA C 56.630 0.01 1 260 . 27 ASP HA H 4.035 0.003 1 261 . 27 ASP CB C 40.084 0.01 1 262 . 27 ASP HB2 H 2.549 0.002 2 263 . 27 ASP HB3 H 2.620 0.01 2 264 . 27 ASP C C 176.110 0.01 1 265 . 28 PHE N N 116.534 0.030 1 266 . 28 PHE H H 7.642 0.002 1 267 . 28 PHE CA C 59.716 0.01 1 268 . 28 PHE HA H 4.393 0.004 1 269 . 28 PHE CB C 39.621 0.01 1 270 . 28 PHE HB2 H 2.919 0.002 2 271 . 28 PHE HB3 H 3.115 0.003 2 272 . 28 PHE CD1 C 132.158 0.01 1 273 . 28 PHE HD1 H 7.195 0.001 1 274 . 28 PHE CE1 C 132.158 0.01 1 275 . 28 PHE HE1 H 7.403 0.007 1 276 . 28 PHE CE2 C 132.158 0.01 1 277 . 28 PHE HE2 H 7.403 0.01 1 278 . 28 PHE CD2 C 132.158 0.01 1 279 . 28 PHE HD2 H 7.195 0.01 1 280 . 28 PHE C C 176.880 0.01 1 281 . 29 ASN N N 116.195 0.003 1 282 . 29 ASN H H 8.844 0.001 1 283 . 29 ASN CA C 57.717 0.01 1 284 . 29 ASN HA H 4.010 0.002 1 285 . 29 ASN CB C 41.171 0.01 1 286 . 29 ASN HB2 H 1.763 0.002 2 287 . 29 ASN HB3 H 2.610 0.001 2 288 . 29 ASN C C 176.630 0.01 1 289 . 30 LEU N N 118.665 0.031 1 290 . 30 LEU H H 7.894 0.001 1 291 . 30 LEU CA C 60.951 0.01 1 292 . 30 LEU HA H 4.158 0.01 1 293 . 30 LEU CB C 39.004 0.01 1 294 . 30 LEU HB2 H 1.758 0.01 1 295 . 30 LEU HB3 H 1.758 0.01 1 296 . 30 LEU CG C 27.353 0.077 1 297 . 30 LEU HG H 1.554 0.005 1 298 . 30 LEU CD1 C 23.881 0.01 1 299 . 30 LEU HD1 H 0.873 0.01 2 300 . 30 LEU CD2 C 25.887 0.01 1 301 . 30 LEU HD2 H 0.976 0.01 2 302 . 31 PRO CD C 50.457 0.01 1 303 . 31 PRO CA C 65.117 0.01 1 304 . 31 PRO HA H 4.242 0.01 1 305 . 31 PRO CB C 31.905 0.01 1 306 . 31 PRO HB2 H 1.528 0.001 2 307 . 31 PRO HB3 H 2.294 0.01 2 308 . 31 PRO CG C 28.510 0.01 1 309 . 31 PRO HG2 H 1.763 0.002 2 310 . 31 PRO HG3 H 1.970 0.001 2 311 . 31 PRO HD2 H 3.186 0.001 2 312 . 31 PRO HD3 H 3.471 0.01 2 313 . 31 PRO C C 177.180 0.01 1 314 . 32 ARG N N 113.752 0.032 1 315 . 32 ARG H H 7.145 0.001 1 316 . 32 ARG CA C 55.395 0.01 1 317 . 32 ARG HA H 4.311 0.01 1 318 . 32 ARG CB C 31.597 0.01 1 319 . 32 ARG HB2 H 1.518 0.002 2 320 . 32 ARG HB3 H 1.821 0.001 2 321 . 32 ARG CG C 27.276 0.01 1 322 . 32 ARG HG2 H 1.394 0.002 1 323 . 32 ARG HG3 H 1.394 0.01 1 324 . 32 ARG CD C 42.707 0.01 1 325 . 32 ARG HD2 H 2.357 0.001 2 326 . 32 ARG HD3 H 2.741 0.002 2 327 . 32 ARG NE N 113.793 0.01 1 328 . 32 ARG HE H 6.781 0.01 1 329 . 32 ARG C C 175.290 0.01 1 330 . 33 ASP N N 124.260 0.010 1 331 . 33 ASP H H 7.514 0.001 1 332 . 33 ASP CA C 53.698 0.01 1 333 . 33 ASP HA H 4.635 0.001 1 334 . 33 ASP CB C 41.473 0.01 1 335 . 33 ASP HB2 H 2.562 0.002 2 336 . 33 ASP HB3 H 2.982 0.001 2 337 . 33 ASP C C 174.760 0.01 1 338 . 34 LYS N N 125.321 0.007 1 339 . 34 LYS H H 8.532 0.002 1 340 . 34 LYS CA C 60.179 0.01 1 341 . 34 LYS HA H 3.822 0.001 1 342 . 34 LYS CB C 32.522 0.01 1 343 . 34 LYS HB2 H 1.895 0.001 2 344 . 34 LYS HB3 H 1.917 0.001 2 345 . 34 LYS CG C 25.115 0.01 1 346 . 34 LYS HG2 H 1.454 0.001 2 347 . 34 LYS HG3 H 1.575 0.001 2 348 . 34 LYS CD C 29.282 0.01 1 349 . 34 LYS HD2 H 1.727 0.002 1 350 . 34 LYS HD3 H 1.727 0.01 1 351 . 34 LYS CE C 42.090 0.01 1 352 . 34 LYS HE2 H 2.952 0.01 2 353 . 34 LYS HE3 H 3.045 0.002 2 354 . 34 LYS C C 178.220 0.01 1 355 . 35 PHE N N 118.286 0.038 1 356 . 35 PHE H H 8.199 0.01 1 357 . 35 PHE CA C 60.796 0.01 1 358 . 35 PHE HA H 4.463 0.002 1 359 . 35 PHE CB C 39.467 0.01 1 360 . 35 PHE HB2 H 3.147 0.01 2 361 . 35 PHE HB3 H 3.276 0.01 2 362 . 35 PHE CD1 C 132.467 0.01 1 363 . 35 PHE HD1 H 7.247 0.01 1 364 . 35 PHE CE1 C 132.158 0.01 1 365 . 35 PHE HE1 H 7.217 0.001 1 366 . 35 PHE CZ C 129.072 0.01 1 367 . 35 PHE HZ H 6.990 0.01 1 368 . 35 PHE CE2 C 132.158 0.01 1 369 . 35 PHE HE2 H 7.217 0.01 1 370 . 35 PHE CD2 C 132.467 0.01 1 371 . 35 PHE HD2 H 7.247 0.01 1 372 . 35 PHE C C 178.210 0.01 1 373 . 36 LEU N N 122.158 0.007 1 374 . 36 LEU H H 8.631 0.002 1 375 . 36 LEU CA C 57.864 0.01 1 376 . 36 LEU HA H 3.719 0.004 1 377 . 36 LEU CB C 41.781 0.01 1 378 . 36 LEU HB2 H 1.202 0.002 2 379 . 36 LEU HB3 H 1.426 0.01 2 380 . 36 LEU CG C 26.931 0.01 1 381 . 36 LEU HG H 1.529 0.005 1 382 . 36 LEU CD1 C 23.727 0.01 1 383 . 36 LEU HD1 H 0.350 0.003 2 384 . 36 LEU CD2 C 24.498 0.01 1 385 . 36 LEU HD2 H 0.377 0.002 2 386 . 36 LEU C C 178.560 0.01 1 387 . 37 LYS N N 117.586 0.038 1 388 . 37 LYS H H 8.767 0.003 1 389 . 37 LYS CA C 60.488 0.01 1 390 . 37 LYS HA H 3.784 0.005 1 391 . 37 LYS CB C 31.442 0.01 1 392 . 37 LYS HB2 H 1.726 0.002 2 393 . 37 LYS HB3 H 1.894 0.002 2 394 . 37 LYS CG C 25.578 0.01 1 395 . 37 LYS HG2 H 1.340 0.01 2 396 . 37 LYS HG3 H 1.660 0.002 2 397 . 37 LYS CD C 29.591 0.01 1 398 . 37 LYS HD2 H 1.556 0.002 1 399 . 37 LYS HD3 H 1.556 0.01 1 400 . 37 LYS CE C 41.627 0.01 1 401 . 37 LYS HE2 H 2.747 0.01 2 402 . 37 LYS HE3 H 2.863 0.001 2 403 . 37 LYS C C 178.670 0.01 1 404 . 38 GLU N N 115.857 0.026 1 405 . 38 GLU H H 7.136 0.007 1 406 . 38 GLU CA C 58.173 0.01 1 407 . 38 GLU HA H 4.133 0.002 1 408 . 38 GLU CB C 29.128 0.01 1 409 . 38 GLU HB2 H 2.035 0.003 2 410 . 38 GLU HB3 H 2.064 0.01 2 411 . 38 GLU CG C 35.917 0.01 1 412 . 38 GLU HG2 H 2.275 0.002 2 413 . 38 GLU HG3 H 2.405 0.002 2 414 . 38 GLU C C 179.630 0.01 1 415 . 39 GLN N N 118.623 0.064 1 416 . 39 GLN H H 7.755 0.002 1 417 . 39 GLN CA C 57.881 0.01 1 418 . 39 GLN HA H 3.878 0.01 1 419 . 39 GLN CB C 28.047 0.01 1 420 . 39 GLN HB2 H 1.923 0.002 2 421 . 39 GLN HB3 H 2.163 0.002 2 422 . 39 GLN CG C 33.294 0.01 1 423 . 39 GLN HG2 H 1.724 0.002 2 424 . 39 GLN HG3 H 1.984 0.002 2 425 . 39 GLN C C 180.680 0.01 1 426 . 40 ILE N N 114.081 0.023 1 427 . 40 ILE H H 8.282 0.004 1 428 . 40 ILE CA C 64.808 0.01 1 429 . 40 ILE HA H 4.054 0.006 1 430 . 40 ILE CB C 37.868 0.01 1 431 . 40 ILE HB H 2.207 0.002 1 432 . 40 ILE CG2 C 17.246 0.01 1 433 . 40 ILE HG2 H 1.115 0.003 1 434 . 40 ILE CG1 C 26.041 0.01 1 435 . 40 ILE HG12 H 1.224 0.01 2 436 . 40 ILE HG13 H 1.596 0.002 2 437 . 40 ILE CD1 C 14.354 0.01 1 438 . 40 ILE HD1 H 0.863 0.002 1 439 . 40 ILE C C 175.560 0.01 1 440 . 41 LYS N N 118.294 0.020 1 441 . 41 LYS H H 7.031 0.006 1 442 . 41 LYS CA C 57.247 0.01 1 443 . 41 LYS HA H 4.280 0.002 1 444 . 41 LYS CB C 33.448 0.01 1 445 . 41 LYS HB2 H 1.820 0.01 2 446 . 41 LYS HB3 H 1.960 0.001 2 447 . 41 LYS CG C 24.961 0.01 1 448 . 41 LYS HG2 H 1.436 0.002 2 449 . 41 LYS HG3 H 1.681 0.002 2 450 . 41 LYS CD C 29.436 0.01 1 451 . 41 LYS HD2 H 1.701 0.001 1 452 . 41 LYS HD3 H 1.701 0.01 1 453 . 41 LYS CE C 41.936 0.01 1 454 . 41 LYS HE2 H 2.959 0.001 1 455 . 41 LYS HE3 H 2.959 0.01 1 456 . 41 LYS C C 178.510 0.01 1 457 . 42 LEU N N 117.937 0.032 1 458 . 42 LEU H H 7.092 0.005 1 459 . 42 LEU CA C 57.554 0.01 1 460 . 42 LEU HA H 4.114 0.003 1 461 . 42 LEU CB C 42.553 0.01 1 462 . 42 LEU HB2 H 1.543 0.001 2 463 . 42 LEU HB3 H 1.897 0.007 2 464 . 42 LEU CG C 26.384 0.01 1 465 . 42 LEU HG H 1.860 0.001 1 466 . 42 LEU CD1 C 22.184 0.01 1 467 . 42 LEU HD1 H 0.865 0.01 2 468 . 42 LEU CD2 C 25.115 0.01 1 469 . 42 LEU HD2 H 0.956 0.005 2 470 . 42 LEU C C 177.630 0.01 1 471 . 43 ASP N N 121.131 0.039 1 472 . 43 ASP H H 9.426 0.001 1 473 . 43 ASP CA C 53.088 0.01 1 474 . 43 ASP HA H 4.900 0.01 1 475 . 43 ASP CB C 41.010 0.01 1 476 . 43 ASP HB2 H 2.408 0.01 2 477 . 43 ASP HB3 H 2.852 0.003 2 478 . 43 ASP C C 174.650 0.01 1 479 . 44 GLU N N 114.091 0.001 1 480 . 44 GLU H H 8.969 0.007 1 481 . 44 GLU CA C 57.247 0.01 1 482 . 44 GLU HA H 3.807 0.002 1 483 . 44 GLU CB C 28.047 0.01 1 484 . 44 GLU HB2 H 2.188 0.002 1 485 . 44 GLU HB3 H 2.188 0.01 1 486 . 44 GLU CG C 37.306 0.01 1 487 . 44 GLU HG2 H 2.205 0.005 2 488 . 44 GLU HG3 H 2.355 0.002 2 489 . 44 GLU C C 175.180 0.01 1 490 . 45 GLY N N 107.030 0.061 1 491 . 45 GLY H H 7.489 0.006 1 492 . 45 GLY CA C 45.639 0.01 1 493 . 45 GLY HA2 H 3.746 0.003 2 494 . 45 GLY HA3 H 4.163 0.002 2 495 . 45 GLY C C 173.760 0.01 1 496 . 46 TRP N N 117.859 0.064 1 497 . 46 TRP H H 7.699 0.002 1 498 . 46 TRP CA C 57.401 0.01 1 499 . 46 TRP HA H 4.516 0.003 1 500 . 46 TRP CB C 30.362 0.01 1 501 . 46 TRP HB2 H 2.802 0.001 2 502 . 46 TRP HB3 H 3.696 0.002 2 503 . 46 TRP CD1 C 131.232 0.01 1 504 . 46 TRP CE3 C 118.853 0.01 1 505 . 46 TRP NE1 N 130.939 0.01 1 506 . 46 TRP HD1 H 7.600 0.001 2 507 . 46 TRP HE3 H 6.892 0.003 2 508 . 46 TRP CZ3 C 123.173 0.01 1 509 . 46 TRP CZ2 C 115.303 0.01 1 510 . 46 TRP HE1 H 10.327 0.01 1 511 . 46 TRP HZ3 H 6.844 0.002 1 512 . 46 TRP CH2 C 123.173 0.01 1 513 . 46 TRP HZ2 H 7.398 0.001 1 514 . 46 TRP HH2 H 6.696 0.001 1 515 . 46 TRP C C 177.670 0.01 1 516 . 47 VAL N N 125.683 0.026 1 517 . 47 VAL H H 10.161 0.002 1 518 . 47 VAL CA C 59.560 0.01 1 519 . 47 VAL HA H 4.810 0.01 1 520 . 47 VAL CB C 35.609 0.01 1 521 . 47 VAL HB H 2.259 0.001 1 522 . 47 VAL CG1 C 20.486 0.01 1 523 . 47 VAL HG1 H 1.069 0.001 2 524 . 47 VAL CG2 C 21.875 0.01 1 525 . 47 VAL HG2 H 1.177 0.001 2 526 . 48 PRO CD C 52.309 0.01 1 527 . 48 PRO CA C 62.744 0.01 1 528 . 48 PRO HA H 4.745 0.01 1 529 . 48 PRO CB C 33.140 0.01 1 530 . 48 PRO HB2 H 1.963 0.001 2 531 . 48 PRO HB3 H 2.776 0.01 2 532 . 48 PRO CG C 28.047 0.01 1 533 . 48 PRO HG2 H 2.048 0.01 2 534 . 48 PRO HG3 H 2.264 0.01 2 535 . 48 PRO HD2 H 3.722 0.001 2 536 . 48 PRO HD3 H 4.213 0.002 2 537 . 48 PRO C C 178.900 0.01 1 538 . 49 LEU N N 127.225 0.01 1 539 . 49 LEU H H 8.873 0.01 1 540 . 49 LEU CA C 58.173 0.01 1 541 . 49 LEU HA H 3.723 0.001 1 542 . 49 LEU CB C 39.775 0.01 1 543 . 49 LEU HB2 H 0.452 0.001 2 544 . 49 LEU HB3 H 0.842 0.001 2 545 . 49 LEU CG C 27.478 0.01 1 546 . 49 LEU HG H 1.206 0.01 1 547 . 49 LEU CD1 C 23.650 0.01 1 548 . 49 LEU HD1 H 0.653 0.001 2 549 . 49 LEU CD2 C 26.196 0.01 1 550 . 49 LEU HD2 H 0.604 0.004 2 551 . 49 LEU C C 177.810 0.01 1 552 . 50 GLU N N 116.573 0.058 1 553 . 50 GLU H H 8.812 0.014 1 554 . 50 GLU CA C 59.716 0.01 1 555 . 50 GLU HA H 4.142 0.01 1 556 . 50 GLU CB C 29.899 0.01 1 557 . 50 GLU HB2 H 2.077 0.005 2 558 . 50 GLU HB3 H 2.211 0.003 2 559 . 50 GLU CG C 35.917 0.01 1 560 . 50 GLU HG2 H 2.399 0.009 1 561 . 50 GLU HG3 H 2.399 0.01 1 562 . 50 GLU C C 177.470 0.01 1 563 . 51 ILE N N 116.554 0.018 1 564 . 51 ILE H H 7.117 0.007 1 565 . 51 ILE CA C 62.185 0.01 1 566 . 51 ILE HA H 3.982 0.001 1 567 . 51 ILE CB C 36.774 0.01 1 568 . 51 ILE HB H 2.201 0.01 1 569 . 51 ILE CG2 C 17.088 0.01 1 570 . 51 ILE HG2 H 0.964 0.001 1 571 . 51 ILE CG1 C 28.202 0.01 1 572 . 51 ILE HG12 H 1.480 0.002 2 573 . 51 ILE HG13 H 1.669 0.001 2 574 . 51 ILE CD1 C 11.073 0.01 1 575 . 51 ILE HD1 H 0.908 0.001 1 576 . 51 ILE C C 177.950 0.01 1 577 . 52 MET N N 117.260 0.028 1 578 . 52 MET H H 7.408 0.001 1 579 . 52 MET CA C 55.395 0.01 1 580 . 52 MET HA H 4.375 0.002 1 581 . 52 MET CB C 28.819 0.01 1 582 . 52 MET HB2 H 1.928 0.001 2 583 . 52 MET HB3 H 2.149 0.001 2 584 . 52 MET CG C 30.362 0.01 1 585 . 52 MET HG2 H 2.595 0.002 1 586 . 52 MET HG3 H 2.595 0.01 1 587 . 52 MET CE C 15.702 0.01 1 588 . 52 MET HE H 1.776 0.01 1 589 . 52 MET C C 178.510 0.01 1 590 . 53 ILE N N 109.860 0.049 1 591 . 53 ILE H H 8.105 0.002 1 592 . 53 ILE CA C 62.962 0.01 1 593 . 53 ILE HA H 4.250 0.002 1 594 . 53 ILE CB C 38.414 0.01 1 595 . 53 ILE HB H 2.214 0.004 1 596 . 53 ILE CG2 C 18.182 0.01 1 597 . 53 ILE HG2 H 1.132 0.001 1 598 . 53 ILE CG1 C 27.122 0.01 1 599 . 53 ILE HG12 H 1.498 0.002 2 600 . 53 ILE HG13 H 1.674 0.002 2 601 . 53 ILE CD1 C 14.901 0.01 1 602 . 53 ILE HD1 H 1.095 0.002 1 603 . 53 ILE C C 176.220 0.01 1 604 . 54 LYS N N 120.422 0.044 1 605 . 54 LYS H H 7.661 0.006 1 606 . 54 LYS CA C 57.401 0.01 1 607 . 54 LYS HA H 4.214 0.001 1 608 . 54 LYS CB C 31.751 0.01 1 609 . 54 LYS HB2 H 1.847 0.003 1 610 . 54 LYS HB3 H 1.847 0.01 1 611 . 54 LYS CG C 25.115 0.01 1 612 . 54 LYS HG2 H 1.415 0.002 2 613 . 54 LYS HG3 H 1.666 0.002 2 614 . 54 LYS CD C 28.973 0.01 1 615 . 54 LYS HD2 H 1.676 0.002 1 616 . 54 LYS HD3 H 1.676 0.01 1 617 . 54 LYS CE C 42.090 0.01 1 618 . 54 LYS HE2 H 2.997 0.002 1 619 . 54 LYS HE3 H 2.997 0.01 1 620 . 54 LYS C C 177.560 0.01 1 621 . 55 PHE N N 119.757 0.01 1 622 . 55 PHE H H 7.827 0.01 1 623 . 55 PHE CA C 57.401 0.01 1 624 . 55 PHE HA H 4.628 0.005 1 625 . 55 PHE CB C 37.306 0.01 1 626 . 55 PHE HB2 H 3.335 0.004 1 627 . 55 PHE HB3 H 3.335 0.01 1 628 . 55 PHE CD1 C 132.158 0.01 1 629 . 55 PHE HD1 H 7.142 0.003 1 630 . 55 PHE CE1 C 131.386 0.01 1 631 . 55 PHE HE1 H 7.087 0.003 1 632 . 55 PHE CE2 C 131.386 0.01 1 633 . 55 PHE HE2 H 7.087 0.01 1 634 . 55 PHE CD2 C 132.158 0.01 1 635 . 55 PHE HD2 H 7.142 0.01 1 636 . 56 ASN CA C 56.422 0.01 1 637 . 56 ASN CB C 38.429 0.01 1 638 . 56 ASN C C 176.560 0.01 1 639 . 57 ARG N N 114.787 0.014 1 640 . 57 ARG H H 8.348 0.001 1 641 . 57 ARG CA C 59.099 0.01 1 642 . 57 ARG HA H 4.003 0.001 1 643 . 57 ARG CB C 29.282 0.01 1 644 . 57 ARG HB2 H 1.869 0.002 2 645 . 57 ARG HB3 H 1.924 0.005 2 646 . 57 ARG CG C 28.356 0.01 1 647 . 57 ARG HG2 H 1.615 0.002 2 648 . 57 ARG HG3 H 1.844 0.003 2 649 . 57 ARG CD C 43.016 0.01 1 650 . 57 ARG HD2 H 3.081 0.002 1 651 . 57 ARG HD3 H 3.081 0.01 1 652 . 57 ARG C C 177.420 0.01 1 653 . 58 LEU N N 115.478 0.038 1 654 . 58 LEU H H 7.519 0.009 1 655 . 58 LEU CA C 56.422 0.01 1 656 . 58 LEU HA H 4.697 0.01 1 657 . 58 LEU CB C 43.640 0.01 1 658 . 58 LEU HB2 H 1.495 0.002 2 659 . 58 LEU HB3 H 2.287 0.002 2 660 . 58 LEU CG C 27.592 0.01 1 661 . 58 LEU HG H 1.837 0.002 1 662 . 58 LEU CD1 C 24.043 0.01 1 663 . 58 LEU HD1 H 1.125 0.01 2 664 . 58 LEU CD2 C 25.733 0.01 1 665 . 58 LEU HD2 H 0.985 0.01 2 666 . 58 LEU C C 177.270 0.01 1 667 . 59 ASN N N 116.878 0.034 1 668 . 59 ASN H H 8.584 0.012 1 669 . 59 ASN CA C 55.704 0.01 1 670 . 59 ASN HA H 4.593 0.002 1 671 . 59 ASN CB C 37.615 0.01 1 672 . 59 ASN HB2 H 2.890 0.001 2 673 . 59 ASN HB3 H 3.010 0.002 2 674 . 59 ASN C C 177.000 0.01 1 675 . 60 ARG N N 115.840 0.014 1 676 . 60 ARG H H 7.652 0.005 1 677 . 60 ARG CA C 57.401 0.01 1 678 . 60 ARG HA H 4.213 0.001 1 679 . 60 ARG CB C 29.899 0.01 1 680 . 60 ARG HB2 H 1.883 0.004 1 681 . 60 ARG HB3 H 1.883 0.01 1 682 . 60 ARG CG C 26.967 0.01 1 683 . 60 ARG HG2 H 1.643 0.002 2 684 . 60 ARG HG3 H 1.746 0.001 2 685 . 60 ARG CD C 43.633 0.01 1 686 . 60 ARG HD2 H 3.160 0.004 2 687 . 60 ARG HD3 H 3.204 0.001 2 688 . 60 ARG C C 177.040 0.01 1 689 . 61 LEU N N 120.046 0.024 1 690 . 61 LEU H H 7.979 0.01 1 691 . 61 LEU CA C 56.476 0.01 1 692 . 61 LEU HA H 4.356 0.002 1 693 . 61 LEU CB C 42.244 0.01 1 694 . 61 LEU HB2 H 1.312 0.001 2 695 . 61 LEU HB3 H 2.297 0.002 2 696 . 61 LEU CG C 26.504 0.01 1 697 . 61 LEU HG H 1.875 0.002 1 698 . 61 LEU CD1 C 22.492 0.01 1 699 . 61 LEU HD1 H 0.890 0.01 2 700 . 61 LEU CD2 C 26.504 0.01 1 701 . 61 LEU HD2 H 0.982 0.002 2 702 . 61 LEU C C 176.330 0.01 1 703 . 62 THR N N 111.639 0.006 1 704 . 62 THR H H 7.867 0.001 1 705 . 62 THR CA C 61.877 0.01 1 706 . 62 THR HA H 4.538 0.001 1 707 . 62 THR CB C 67.396 0.01 1 708 . 62 THR HB H 4.405 0.002 1 709 . 62 THR CG2 C 19.560 0.01 1 710 . 62 THR HG2 H 0.957 0.002 1 711 . 62 THR C C 170.250 0.01 1 712 . 63 THR N N 110.616 0.058 1 713 . 63 THR H H 7.914 0.001 1 714 . 63 THR CA C 60.642 0.01 1 715 . 63 THR HA H 4.543 0.003 1 716 . 63 THR CB C 69.129 0.01 1 717 . 63 THR HB H 4.632 0.001 1 718 . 63 THR CG2 C 22.184 0.01 1 719 . 63 THR HG2 H 1.255 0.008 1 720 . 63 THR C C 173.070 0.01 1 721 . 64 ASP N N 124.984 0.029 1 722 . 64 ASP H H 8.719 0.01 1 723 . 64 ASP CA C 53.698 0.01 1 724 . 64 ASP HA H 4.575 0.002 1 725 . 64 ASP CB C 41.936 0.01 1 726 . 64 ASP HB2 H 2.489 0.001 2 727 . 64 ASP HB3 H 2.985 0.001 2 728 . 64 ASP C C 176.820 0.01 1 729 . 65 PHE N N 126.733 0.026 1 730 . 65 PHE H H 8.967 0.001 1 731 . 65 PHE CA C 58.790 0.01 1 732 . 65 PHE HA H 4.292 0.002 1 733 . 65 PHE CB C 37.461 0.01 1 734 . 65 PHE HB2 H 3.217 0.002 2 735 . 65 PHE HB3 H 3.419 0.003 2 736 . 65 PHE CD1 C 130.461 0.01 1 737 . 65 PHE HD1 H 7.200 0.003 1 738 . 65 PHE CE1 C 131.849 0.01 1 739 . 65 PHE HE1 H 7.323 0.001 1 740 . 65 PHE CZ C 129.689 0.01 1 741 . 65 PHE HZ H 7.178 0.001 1 742 . 65 PHE CE2 C 131.849 0.01 1 743 . 65 PHE HE2 H 7.323 0.01 1 744 . 65 PHE CD2 C 130.461 0.01 1 745 . 65 PHE HD2 H 7.200 0.01 1 746 . 65 PHE C C 177.930 0.01 1 747 . 66 ASN N N 115.873 0.048 1 748 . 66 ASN H H 8.475 0.003 1 749 . 66 ASN CA C 56.784 0.01 1 750 . 66 ASN HA H 4.474 0.002 1 751 . 66 ASN CB C 38.232 0.01 1 752 . 66 ASN HB2 H 2.811 0.002 2 753 . 66 ASN HB3 H 2.980 0.01 2 754 . 66 ASN C C 177.810 0.01 1 755 . 67 VAL N N 121.481 0.044 1 756 . 67 VAL H H 7.544 0.003 1 757 . 67 VAL CA C 65.756 0.01 1 758 . 67 VAL HA H 3.694 0.001 1 759 . 67 VAL CB C 31.853 0.01 1 760 . 67 VAL HB H 2.355 0.003 1 761 . 67 VAL CG1 C 20.795 0.01 1 762 . 67 VAL HG1 H 0.954 0.001 2 763 . 67 VAL CG2 C 22.556 0.01 1 764 . 67 VAL HG2 H 1.038 0.01 2 765 . 67 VAL C C 178.630 0.01 1 766 . 68 ILE N N 118.661 0.022 1 767 . 68 ILE H H 7.711 0.01 1 768 . 68 ILE CA C 66.815 0.01 1 769 . 68 ILE HA H 3.592 0.003 1 770 . 68 ILE CB C 37.868 0.01 1 771 . 68 ILE HB H 1.990 0.007 1 772 . 68 ILE CG2 C 17.088 0.01 1 773 . 68 ILE HG2 H 0.752 0.002 1 774 . 68 ILE CG1 C 29.899 0.01 1 775 . 68 ILE HG12 H 0.722 0.01 2 776 . 68 ILE HG13 H 2.014 0.002 2 777 . 68 ILE CD1 C 13.807 0.01 1 778 . 68 ILE HD1 H 0.806 0.01 1 779 . 68 ILE C C 177.000 0.01 1 780 . 69 VAL N N 116.555 0.016 1 781 . 69 VAL H H 8.340 0.001 1 782 . 69 VAL CA C 67.277 0.01 1 783 . 69 VAL HA H 3.588 0.001 1 784 . 69 VAL CB C 31.306 0.01 1 785 . 69 VAL HB H 2.268 0.001 1 786 . 69 VAL CG1 C 22.184 0.01 1 787 . 69 VAL HG1 H 1.030 0.009 2 788 . 69 VAL CG2 C 22.646 0.01 1 789 . 69 VAL HG2 H 1.147 0.01 2 790 . 70 GLU N N 122.131 0.030 1 791 . 70 GLU H H 8.297 0.002 1 792 . 70 GLU CA C 61.632 0.01 1 793 . 70 GLU C C 179.840 0.01 1 794 . 71 ALA N N 121.065 0.061 1 795 . 71 ALA H H 8.163 0.001 1 796 . 71 ALA CA C 55.704 0.01 1 797 . 71 ALA HA H 3.850 0.001 1 798 . 71 ALA CB C 18.943 0.01 1 799 . 71 ALA HB H 1.677 0.001 1 800 . 71 ALA C C 180.000 0.01 1 801 . 72 LEU N N 116.188 0.019 1 802 . 72 LEU H H 8.345 0.001 1 803 . 72 LEU CA C 57.247 0.01 1 804 . 72 LEU HA H 4.274 0.003 1 805 . 72 LEU CB C 42.707 0.01 1 806 . 72 LEU HB2 H 1.442 0.01 2 807 . 72 LEU HB3 H 1.816 0.005 2 808 . 72 LEU CG C 26.504 0.01 1 809 . 72 LEU HG H 1.939 0.002 1 810 . 72 LEU CD1 C 23.418 0.01 1 811 . 72 LEU HD1 H 0.932 0.001 2 812 . 72 LEU CD2 C 25.887 0.01 1 813 . 72 LEU HD2 H 0.851 0.002 2 814 . 72 LEU C C 180.390 0.01 1 815 . 73 SER N N 115.789 0.079 1 816 . 73 SER H H 8.387 0.002 1 817 . 73 SER CA C 61.414 0.01 1 818 . 73 SER HA H 4.229 0.01 1 819 . 73 SER CB C 63.111 0.01 1 820 . 73 SER HB2 H 4.027 0.002 1 821 . 73 SER HB3 H 4.027 0.01 1 822 . 73 SER C C 174.830 0.01 1 823 . 74 LYS N N 119.341 0.038 1 824 . 74 LYS H H 7.168 0.001 1 825 . 74 LYS CA C 56.167 0.01 1 826 . 74 LYS HA H 4.408 0.01 1 827 . 74 LYS CB C 33.294 0.01 1 828 . 74 LYS HB2 H 1.697 0.002 2 829 . 74 LYS HB3 H 2.044 0.002 2 830 . 74 LYS CG C 25.270 0.01 1 831 . 74 LYS HG2 H 1.396 0.001 2 832 . 74 LYS HG3 H 1.622 0.001 2 833 . 74 LYS CD C 29.282 0.01 1 834 . 74 LYS HD2 H 1.688 0.001 1 835 . 74 LYS HD3 H 1.688 0.01 1 836 . 74 LYS CE C 41.936 0.01 1 837 . 74 LYS HE2 H 2.934 0.003 1 838 . 74 LYS HE3 H 2.934 0.01 1 839 . 74 LYS C C 176.700 0.01 1 840 . 75 SER N N 114.072 0.033 1 841 . 75 SER H H 7.260 0.01 1 842 . 75 SER CA C 58.367 0.01 1 843 . 75 SER HA H 4.826 0.01 1 844 . 75 SER CB C 63.728 0.01 1 845 . 75 SER HB2 H 3.963 0.003 2 846 . 75 SER HB3 H 4.428 0.002 2 847 . 75 SER C C 177.330 0.01 1 848 . 76 LYS N N 127.438 0.043 1 849 . 76 LYS H H 9.257 0.001 1 850 . 76 LYS CA C 56.167 0.01 1 851 . 76 LYS HA H 4.504 0.005 1 852 . 76 LYS CB C 31.905 0.01 1 853 . 76 LYS HB2 H 1.801 0.005 2 854 . 76 LYS HB3 H 2.081 0.001 2 855 . 76 LYS CG C 24.807 0.01 1 856 . 76 LYS HG2 H 1.555 0.001 2 857 . 76 LYS HG3 H 1.619 0.001 2 858 . 76 LYS CD C 28.510 0.01 1 859 . 76 LYS HD2 H 1.729 0.002 1 860 . 76 LYS HD3 H 1.729 0.01 1 861 . 76 LYS CE C 42.244 0.01 1 862 . 76 LYS HE2 H 3.075 0.004 1 863 . 76 LYS HE3 H 3.075 0.01 1 864 . 76 LYS C C 177.330 0.01 1 865 . 77 ALA N N 122.497 0.022 1 866 . 77 ALA H H 8.436 0.002 1 867 . 77 ALA CA C 54.161 0.01 1 868 . 77 ALA HA H 4.104 0.003 1 869 . 77 ALA CB C 18.480 0.01 1 870 . 77 ALA HB H 1.407 0.002 1 871 . 77 ALA C C 177.830 0.01 1 872 . 78 GLU N N 111.256 0.064 1 873 . 78 GLU H H 7.913 0.01 1 874 . 78 GLU CA C 56.784 0.01 1 875 . 78 GLU HA H 3.955 0.01 1 876 . 78 GLU CB C 27.430 0.01 1 877 . 78 GLU HB2 H 2.053 0.01 2 878 . 78 GLU HB3 H 2.141 0.005 2 879 . 78 GLU CG C 36.689 0.01 1 880 . 78 GLU HG2 H 2.147 0.002 1 881 . 78 GLU HG3 H 2.147 0.01 1 882 . 78 GLU C C 174.820 0.01 1 883 . 79 LEU N N 120.097 0.01 1 884 . 79 LEU H H 7.944 0.001 1 885 . 79 LEU CA C 56.784 0.01 1 886 . 79 LEU HA H 4.340 0.003 1 887 . 79 LEU CB C 45.330 0.01 1 888 . 79 LEU HB2 H 1.366 0.002 2 889 . 79 LEU HB3 H 1.545 0.002 2 890 . 79 LEU CD1 C 22.955 0.01 1 891 . 79 LEU HD1 H 0.947 0.001 2 892 . 79 LEU CD2 C 26.350 0.01 1 893 . 79 LEU HD2 H 0.869 0.01 2 894 . 79 LEU C C 175.630 0.01 1 895 . 80 MET N N 112.097 0.01 1 896 . 80 MET H H 8.080 0.003 1 897 . 80 MET CA C 51.538 0.01 1 898 . 80 MET HA H 5.234 0.006 1 899 . 80 MET CB C 30.516 0.01 1 900 . 80 MET HB2 H 1.648 0.002 2 901 . 80 MET HB3 H 1.980 0.001 2 902 . 80 MET CG C 31.442 0.01 1 903 . 80 MET HG2 H 2.357 0.001 2 904 . 80 MET HG3 H 2.421 0.01 2 905 . 80 MET CE C 14.159 0.01 1 906 . 80 MET HE H 0.605 0.001 1 907 . 80 MET C C 177.210 0.01 1 908 . 81 GLU N N 121.108 0.01 1 909 . 81 GLU H H 9.415 0.003 1 910 . 81 GLU CA C 54.546 0.01 1 911 . 81 GLU HA H 4.622 0.01 1 912 . 81 GLU CB C 33.603 0.01 1 913 . 81 GLU HB2 H 1.621 0.003 2 914 . 81 GLU HB3 H 1.984 0.01 2 915 . 81 GLU CG C 36.380 0.01 1 916 . 81 GLU HG2 H 2.102 0.001 2 917 . 81 GLU HG3 H 2.278 0.002 2 918 . 81 GLU C C 174.580 0.01 1 919 . 82 ILE N N 121.816 0.014 1 920 . 82 ILE H H 8.713 0.002 1 921 . 82 ILE CA C 60.173 0.01 1 922 . 82 ILE HA H 4.807 0.01 1 923 . 82 ILE CB C 40.701 0.01 1 924 . 82 ILE HB H 1.729 0.002 1 925 . 82 ILE CG2 C 18.634 0.01 1 926 . 82 ILE HG2 H 1.186 0.002 1 927 . 82 ILE CG1 C 28.202 0.01 1 928 . 82 ILE HG12 H 1.018 0.002 2 929 . 82 ILE HG13 H 1.556 0.001 2 930 . 82 ILE CD1 C 14.931 0.01 1 931 . 82 ILE HD1 H 0.898 0.001 1 932 . 82 ILE C C 177.180 0.01 1 933 . 83 SER N N 124.617 0.01 1 934 . 83 SER H H 8.607 0.01 1 935 . 83 SER CA C 58.408 0.01 1 936 . 83 SER HA H 3.712 0.001 1 937 . 83 SER CB C 62.957 0.01 1 938 . 83 SER HB2 H 2.344 0.002 2 939 . 83 SER HB3 H 3.555 0.002 2 940 . 83 SER C C 176.450 0.01 1 941 . 84 GLU N N 123.936 0.047 1 942 . 84 GLU H H 8.859 0.002 1 943 . 84 GLU CA C 59.870 0.01 1 944 . 84 GLU HA H 3.996 0.004 1 945 . 84 GLU CB C 29.128 0.01 1 946 . 84 GLU HB2 H 1.987 0.006 2 947 . 84 GLU HB3 H 2.034 0.001 2 948 . 84 GLU CG C 36.226 0.01 1 949 . 84 GLU HG2 H 2.265 0.002 2 950 . 84 GLU HG3 H 2.345 0.001 2 951 . 84 GLU C C 177.820 0.01 1 952 . 85 ASP N N 114.074 0.029 1 953 . 85 ASP H H 8.057 0.01 1 954 . 85 ASP CA C 53.081 0.01 1 955 . 85 ASP HA H 4.405 0.002 1 956 . 85 ASP CB C 39.930 0.01 1 957 . 85 ASP HB2 H 2.549 0.01 2 958 . 85 ASP HB3 H 3.025 0.004 2 959 . 85 ASP C C 175.490 0.01 1 960 . 86 LYS N N 113.023 0.046 1 961 . 86 LYS H H 8.020 0.001 1 962 . 86 LYS CA C 57.864 0.01 1 963 . 86 LYS HA H 3.589 0.002 1 964 . 86 LYS CB C 29.282 0.01 1 965 . 86 LYS HB2 H 2.033 0.01 2 966 . 86 LYS HB3 H 2.193 0.002 2 967 . 86 LYS CG C 25.424 0.01 1 968 . 86 LYS HG2 H 1.271 0.001 2 969 . 86 LYS HG3 H 1.434 0.002 2 970 . 86 LYS CD C 29.282 0.01 1 971 . 86 LYS HD2 H 1.629 0.01 2 972 . 86 LYS HD3 H 1.757 0.001 2 973 . 86 LYS CE C 42.399 0.01 1 974 . 86 LYS HE2 H 2.997 0.003 1 975 . 86 LYS HE3 H 2.997 0.01 1 976 . 86 LYS C C 175.120 0.01 1 977 . 87 THR N N 102.899 0.064 1 978 . 87 THR H H 7.580 0.001 1 979 . 87 THR CA C 62.494 0.01 1 980 . 87 THR HA H 4.427 0.002 1 981 . 87 THR CB C 71.290 0.01 1 982 . 87 THR HB H 4.237 0.002 1 983 . 87 THR CG2 C 20.640 0.01 1 984 . 87 THR HG2 H 1.093 0.002 1 985 . 87 THR C C 175.260 0.01 1 986 . 88 LYS N N 121.081 0.01 1 987 . 88 LYS H H 7.911 0.002 1 988 . 88 LYS CA C 54.894 0.01 1 989 . 88 LYS HA H 5.070 0.01 1 990 . 88 LYS CB C 36.843 0.01 1 991 . 88 LYS HB2 H 1.345 0.001 2 992 . 88 LYS HB3 H 1.783 0.002 2 993 . 88 LYS CG C 23.572 0.01 1 994 . 88 LYS HG2 H 1.229 0.008 2 995 . 88 LYS HG3 H 1.247 0.002 2 996 . 88 LYS CD C 29.591 0.01 1 997 . 88 LYS HD2 H 1.340 0.01 2 998 . 88 LYS HD3 H 1.452 0.007 2 999 . 88 LYS C C 173.490 0.01 1 1000 . 89 ILE N N 112.000 0.037 1 1001 . 89 ILE H H 8.430 0.001 1 1002 . 89 ILE CA C 59.099 0.01 1 1003 . 89 ILE HA H 5.784 0.002 1 1004 . 89 ILE CB C 42.707 0.01 1 1005 . 89 ILE HB H 1.641 0.002 1 1006 . 89 ILE CG2 C 17.635 0.01 1 1007 . 89 ILE HG2 H 0.789 0.01 1 1008 . 89 ILE CG1 C 23.264 0.01 1 1009 . 89 ILE HG12 H 1.053 0.01 2 1010 . 89 ILE HG13 H 1.154 0.001 2 1011 . 89 ILE CD1 C 14.777 0.01 1 1012 . 89 ILE HD1 H 0.716 0.002 1 1013 . 89 ILE C C 173.880 0.01 1 1014 . 90 ARG N N 115.821 0.058 1 1015 . 90 ARG H H 8.240 0.714 1 1016 . 90 ARG CA C 54.315 0.01 1 1017 . 90 ARG HA H 4.396 0.001 1 1018 . 90 ARG CB C 34.529 0.01 1 1019 . 90 ARG HB2 H 0.903 0.01 2 1020 . 90 ARG HB3 H 1.195 0.003 2 1021 . 90 ARG CG C 24.035 0.01 1 1022 . 90 ARG HG2 H -0.108 0.001 2 1023 . 90 ARG HG3 H 0.461 0.002 2 1024 . 90 ARG CD C 43.170 0.01 1 1025 . 90 ARG HD2 H 0.275 0.002 2 1026 . 90 ARG HD3 H 2.169 0.002 2 1027 . 90 ARG NE N 125.503 0.01 1 1028 . 90 ARG HE H 6.356 0.01 1 1029 . 90 ARG C C 173.650 0.01 1 1030 . 91 ARG N N 124.602 0.041 1 1031 . 91 ARG H H 9.265 0.002 1 1032 . 91 ARG CA C 56.013 0.01 1 1033 . 91 ARG HA H 4.474 0.002 1 1034 . 91 ARG CB C 30.208 0.01 1 1035 . 91 ARG HB2 H 1.668 0.01 1 1036 . 91 ARG HB3 H 1.668 0.01 1 1037 . 91 ARG CG C 28.202 0.01 1 1038 . 91 ARG HG2 H 1.597 0.002 2 1039 . 91 ARG HG3 H 1.635 0.001 2 1040 . 91 ARG CD C 43.479 0.01 1 1041 . 91 ARG HD2 H 3.004 0.002 2 1042 . 91 ARG HD3 H 3.878 0.01 2 1043 . 91 ARG NE N 124.884 0.01 1 1044 . 91 ARG HE H 7.274 0.01 1 1045 . 91 ARG C C 176.220 0.01 1 1046 . 92 SER N N 122.637 0.01 1 1047 . 92 SER H H 9.282 0.01 1 1048 . 92 SER CA C 56.434 0.01 1 1049 . 92 SER HA H 4.851 0.01 1 1050 . 92 SER CB C 64.346 0.01 1 1051 . 92 SER HB2 H 3.569 0.01 2 1052 . 92 SER HB3 H 3.812 0.001 2 1053 . 92 SER C C 177.040 0.01 1 1054 . 93 PRO CD C 52.155 0.01 1 1055 . 93 PRO CA C 64.161 0.01 1 1056 . 93 PRO HA H 4.291 0.001 1 1057 . 93 PRO CB C 31.905 0.01 1 1058 . 93 PRO HB2 H 1.898 0.01 2 1059 . 93 PRO HB3 H 2.286 0.01 2 1060 . 93 PRO CG C 27.122 0.01 1 1061 . 93 PRO HG2 H 1.786 0.002 2 1062 . 93 PRO HG3 H 1.982 0.001 2 1063 . 93 PRO HD2 H 3.556 0.002 2 1064 . 93 PRO HD3 H 3.786 0.001 2 1065 . 93 PRO C C 177.040 0.01 1 1066 . 94 SER N N 110.936 0.004 1 1067 . 94 SER H H 7.804 0.001 1 1068 . 94 SER CA C 59.253 0.01 1 1069 . 94 SER HA H 4.345 0.003 1 1070 . 94 SER CB C 63.265 0.01 1 1071 . 94 SER HB2 H 3.922 0.004 1 1072 . 94 SER HB3 H 3.922 0.01 1 1073 . 94 SER C C 173.350 0.01 1 1074 . 95 LYS N N 122.178 0.046 1 1075 . 95 LYS H H 7.603 0.001 1 1076 . 95 LYS CA C 52.474 0.01 1 1077 . 95 LYS HA H 4.889 0.01 1 1078 . 95 LYS CB C 31.905 0.01 1 1079 . 95 LYS HB2 H 1.760 0.001 2 1080 . 95 LYS HB3 H 1.882 0.001 2 1081 . 95 LYS CG C 24.190 0.01 1 1082 . 95 LYS HG2 H 1.313 0.001 2 1083 . 95 LYS HG3 H 1.541 0.001 2 1084 . 95 LYS CD C 29.282 0.01 1 1085 . 95 LYS HD2 H 1.755 0.001 1 1086 . 95 LYS HD3 H 1.755 0.01 1 1087 . 96 PRO CD C 51.075 0.01 1 1088 . 96 PRO CA C 63.265 0.01 1 1089 . 96 PRO HA H 4.387 0.001 1 1090 . 96 PRO CB C 32.060 0.01 1 1091 . 96 PRO HB2 H 1.887 0.003 2 1092 . 96 PRO HB3 H 2.262 0.002 2 1093 . 96 PRO CG C 27.122 0.01 1 1094 . 96 PRO HG2 H 1.944 0.002 1 1095 . 96 PRO HG3 H 1.944 0.01 1 1096 . 96 PRO HD2 H 3.463 0.001 2 1097 . 96 PRO HD3 H 3.635 0.01 2 1098 . 96 PRO C C 175.980 0.01 1 1099 . 97 LEU N N 124.625 0.020 1 1100 . 97 LEU H H 8.618 0.01 1 1101 . 97 LEU CA C 53.389 0.01 1 1102 . 97 LEU HA H 4.363 0.002 1 1103 . 97 LEU CB C 41.781 0.01 1 1104 . 97 LEU HB2 H 1.480 0.001 2 1105 . 97 LEU HB3 H 1.605 0.002 2 1106 . 97 LEU CG C 27.276 0.01 1 1107 . 97 LEU HG H 1.651 0.001 1 1108 . 97 LEU CD1 C 24.498 0.01 1 1109 . 97 LEU HD1 H 0.883 0.002 2 1110 . 97 LEU CD2 C 25.270 0.01 1 1111 . 97 LEU HD2 H 0.875 0.01 2 1112 . 98 PRO CD C 50.612 0.01 1 1113 . 98 PRO CA C 62.957 0.01 1 1114 . 98 PRO HA H 4.403 0.01 1 1115 . 98 PRO CB C 32.060 0.01 1 1116 . 98 PRO HB2 H 1.855 0.002 2 1117 . 98 PRO HB3 H 2.288 0.002 2 1118 . 98 PRO CG C 27.584 0.01 1 1119 . 98 PRO HG2 H 1.970 0.001 2 1120 . 98 PRO HG3 H 2.016 0.01 2 1121 . 98 PRO HD2 H 3.523 0.001 2 1122 . 98 PRO HD3 H 3.775 0.003 2 1123 . 98 PRO C C 176.260 0.01 1 1124 . 99 GLU N N 120.786 0.065 1 1125 . 99 GLU H H 8.396 0.001 1 1126 . 99 GLU CA C 56.460 0.01 1 1127 . 99 GLU HA H 4.238 0.01 1 1128 . 99 GLU CB C 30.362 0.01 1 1129 . 99 GLU HB2 H 1.894 0.002 2 1130 . 99 GLU HB3 H 1.972 0.002 2 1131 . 99 GLU CG C 36.226 0.01 1 1132 . 99 GLU HG2 H 2.204 0.003 2 1133 . 99 GLU HG3 H 2.283 0.01 2 1134 . 100 VAL N N 122.173 0.025 1 1135 . 100 VAL H H 8.297 0.001 1 1136 . 100 VAL CA C 62.031 0.01 1 1137 . 100 VAL HA H 4.227 0.003 1 1138 . 100 VAL CB C 33.294 0.01 1 1139 . 100 VAL HB H 2.036 0.002 1 1140 . 100 VAL CG1 C 20.486 0.01 1 1141 . 100 VAL HG1 H 0.885 0.01 2 1142 . 100 VAL CG2 C 20.949 0.01 1 1143 . 100 VAL HG2 H 0.895 0.002 2 1144 . 100 VAL C C 175.990 0.01 1 1145 . 101 THR N N 118.332 0.054 1 1146 . 101 THR H H 8.350 0.009 1 1147 . 101 THR CA C 61.381 0.01 1 1148 . 101 THR HA H 4.418 0.01 1 1149 . 101 THR CB C 70.055 0.01 1 1150 . 101 THR HB H 4.238 0.01 1 1151 . 101 THR CG2 C 21.566 0.01 1 1152 . 101 THR HG2 H 1.165 0.001 1 1153 . 101 THR C C 174.030 0.01 1 1154 . 102 ASP N N 123.528 0.062 1 1155 . 102 ASP H H 8.365 0.002 1 1156 . 102 ASP CA C 54.272 0.01 1 1157 . 102 ASP HA H 4.641 0.003 1 1158 . 102 ASP CB C 41.148 0.01 1 1159 . 102 ASP HB2 H 2.583 0.002 2 1160 . 102 ASP HB3 H 2.730 0.01 2 1161 . 102 ASP C C 175.080 0.01 1 1162 . 103 GLU N N 126.014 0.014 1 1163 . 103 GLU H H 7.954 0.004 1 1164 . 103 GLU CA C 58.100 0.01 1 1165 . 103 GLU HA H 4.100 0.001 1 1166 . 103 GLU CB C 31.305 0.01 1 1167 . 103 GLU HB2 H 1.872 0.01 2 1168 . 103 GLU HB3 H 2.024 0.001 2 1169 . 103 GLU CG C 36.774 0.01 1 1170 . 103 GLU HG2 H 2.195 0.001 1 1171 . 103 GLU HG3 H 2.195 0.01 1 stop_ save_